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02. Food Pesticide Chemicals with Regulated Residues on Food Commodities: A. Primary Food Commodities of Plant Origin > Crop Group 00 : Miscellaneous commodities intentionally not included in any group include:
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03. Biological Effects of Specific Chemicals: biochemical uses [CHEBI:52206] > enzyme inhibitor [CHEBI:23924] > acetylcholinesterase inhibitor [CHEBI:38462]
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05. Industrial Uses: pesticide [CHEBI:25944] > insecticide [CHEBI:24852] > pediculicide [CHEBI:38706]
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02. Food Pesticide Chemicals with Regulated Residues on Food Commodities 
02. Food Pesticide Chemicals with Regulated Residues on Food Commodities
 B. Primary Food Commodities of Animal Origin (67) 
 Egg (37)
 Cattle (65) 
 Cattle, fat (61)
 Cattle, meat (59)
 Cattle, meat byproducts (57)
 Goat (61) 
 Goat, fat (57)
 Goat, meat (56)
 Goat, meat byproducts (55)
 Hog (48) 
 Hog, fat (44)
 Hog, meat (42)
 Hog, meat byproducts (41)
 Horse (61) 
 Horse, fat (57)
 Horse, meat byproducts (55)
 Milk (61) 
 Milk, fat (24)
 Poultry (37) 
 Poultry, fat (34)
 Poultry, meat (32)
 Poultry, meat byproducts (32)
 Sheep (61) 
 Sheep, fat (57)
 Sheep, meat (56)
 Sheep, meat byproducts (55)
 A. Primary Food Commodities of Plant Origin  (98) 
 Crop Group 00 : Miscellaneous commodities intentionally not included in any group include: (67) 
 Asparagus (23)
 Avocado (23)
 Fig (12)
 Mango (18)
 Papaya (20)
 Peanut (30)
 Pineapple (16)
 Watercress (7)
 Crop Group 01 : Root & Tuber Vegetables Group (54) 
 Crop Group 01 Subgroup 1A : Root vegetables subgroup (34) 
 Crop Group 01 Subgroup 1A : Root vegetables subgroup: Representative Commodities (27) 
 Carrot, root (11)
 Radish, root (6)
 Sugar beet, root (20)
 Crop Group 01 Subgroup 1A : Root vegetables subgroup: Commodities (33) 
 Sugar beet, root (20)
 Carrot, root (11)
 Horseradish (3)
 Radish, root (6)
 Rutabaga, root (5)
 Salsify, root (2)
 Turnip, root (12)
 Crop Group 01 Subgroup 1B : Root vegetables (except sugar beet) subgroup (28) 
 Crop Group 01 Subgroup 1B : Root vegetables (except sugar beet) subgroup: Representative Commodities (13) 
 Carrot, root (11)
 Radish, root (6)
 Crop Group 01 Subgroup 1B : Root vegetables (except sugar beet) subgroup: Commodities (20) 
 Carrot, root (11)
 Horseradish (3)
 Radish, root (6)
 Rutabaga, root (5)
 Salsify, root (2)
 Turnip, root (12)
 Crop Group 01 Subgroup 1C : Tuberous & corm vegetables subgroup (45) 
 Crop Group 01 Subgroup 1C : Tuberous & corm vegetables subgroup: Representative Commodities (33) 
 Potato (33)
 Crop Group 01 Subgroup 1C : Tuberous & corm vegetables subgroup: Commodities (35) 
 Chayote, root (2)
 Potato (33)
 Sweet potato, root (8)
 Crop Group 01 Subgroup 1D : Tuberous & corm vegetables (except potato) subgroup (11) 
 Crop Group 01 Subgroup 1D : Tuberous & corm vegetables (except potato) subgroup: Representative Commodities (8) 
 Sweet potato, root (8)
 Crop Group 01 Subgroup 1D : Tuberous & corm vegetables (except potato) subgroup: Commodities (11) 
 Chayote, root (2)
 Sweet potato, root (8)
 Crop Group 02 : Leaves of Root & Tuber Vegetables (Human Food or Animal Feed) Group (31) 
 Crop Group 02 : Leaves of Root & Tuber Vegetables (Human Food or Animal Feed) Group: Representative Commodities (19) 
 Sugar beet, leaves (19)
 Crop Group 02 : Leaves of Root & Tuber Vegetables (Human Food or Animal Feed) Group: Commodities (25) 
 Sugar beet, leaves (19)
 Crop Group 03 : Bulb Vegetables { Allium spp. } Group (14) 
 Crop Group 03 : Bulb Vegetable { Allium spp. } Group: Representative Commodities (11) 
 Onion, green (10)
 Crop Group 03 : Bulb Vegetable { Allium spp. } Group: Commodities (5) 
 Garlic, bulb (3)
 Leek (3)
 Crop Group 03-07 : Bulb Vegetable Group (24) 
 Crop Group 03-07 Subgroup 3-07A : Onion, bulb, subgroup (19) 
 Crop Group 03-07 Subgroup 3-07A : Onion, bulb, subgroup: Representative Commodities (12) 
 Onion, bulb (12)
 Crop Group 03-07 Subgroup 3-07A : Onion, bulb, subgroup: Commodities (12) 
 Garlic, bulb (3)
 Onion, bulb (12)
 Shallot, bulb (2)
 Crop Group 03-07 Subgroup 3-07B : Onion, green, subgroup (16) 
 Crop Group 03-07 Subgroup 3-07B : Onion, green, subgroup: Representative Commodities (10) 
 Onion, green (10)
 Crop Group 03-07 Subgroup 3-07B : Onion, green, subgroup: Commodities (10) 
 Leek (3)
 Onion, green (10)
 Crop Group 04 : Leafy Vegetables (except Brassica Vegetables) Group (46) 
 Cultivars, Varieties, and/or Hybrids of Crop Group 04 : Leafy Vegetables (except Brassica Vegetables) Group (21)
 Crop Group 05 : Brassica (Cole) Leafy Vegetables Group (48) 
 Cultivars, Varieties, and/or Hybrids of Crop Group 05 : Brassica (Cole) Leafy Vegetables Group (11)
 Crop Group 06 : Legume Vegetables (Succulent or Dried) Group (48) 
 Crop Group 06 Subgroup 6A : Edible-podded legume vegetables subgroup (24) 
 Crop Group 06 Subgroup 6A : Edible-podded legume vegetables subgroup: Commodities (16) 
 Pea (5)
 Crop Group 06 Subgroup 6B : Succulent shelled pea & bean subgroup (24) 
 Crop Group 06 Subgroup 6B : Succulent shelled pea & bean subgroup: Commodities (18) 
 Bean, succulent (18)
 Crop Group 08 : Fruiting Vegetables (except Cucurbit Vegetables) Group (26) 
 Crop Group 08 : Fruiting Vegetables (except Cucurbit Vegetables) Group: Representative Commodities (20) 
 Tomato (20)
 Crop Group 08 : Fruiting Vegetables (except Cucurbit Vegetables) Group: Commodities (26) 
 Eggplant (8)
 Pepper (15)
 Tomato (20)
 Crop Group 08-10 : Fruiting Vegetable Group (54) 
 Crop Group 08-10 Subgroup 8-10A : Tomato subgroup (22) 
 Crop Group 08-10 Subgroup 8-10A : Tomato subgroup: Commodities (21) 
 Tomato (20)
 Crop Group 08-10 Subgroup 8-10B : Pepper/Eggplant subgroup (24) 
 Crop Group 08-10 Subgroup 8-10B : Pepper/Eggplant subgroup: Commodities (22) 
 Eggplant (8)
 Okra (17)
 Crop Group 08-10 Subgroup 8-10C : Nonbell pepper/Eggplant subgroup (22) 
 Crop Group 08-10 Subgroup 8-10C : Nonbell pepper/Eggplant subgroup: Commodities (22) 
 Eggplant (8)
 Okra (17)
 Crop Group 09 : Cucurbit Vegetables Group (44) 
 Crop Group 09 Subgroup 9B : Squash/cucumber subgroup (15) 
 Crop Group 09 Subgroup 9B : Squash/cucumber subgroup: Commodities (12) 
 Cucumber (12)
 Pumpkin (8)
 Squash, winter (7)
 Crop Group 10 : Citrus Fruit Group (32) 
 Crop Group 10 : Citrus Fruit Group: Representative Commodities (10) 
 Lemon (10)
 Crop Group 10 : Citrus Fruit Group: Commodities (11) 
 Grapefruit (10)
 Kumquat (1)
 Lemon (10)
 Lime (2)
 Crop Group 10-10 : Citrus Fruit Group (35) 
 Crop Group 10-10 : Citrus Fruit Group: Representative Commodities (15) 
 Orange (7)
 Tangerine (7)
 Lemon (10)
 Lime (2)
 Grapefruit (10)
 Crop Group 10-10 Subgroup 10-10A : Orange subgroup (13) 
 Crop Group 10-10 Subgroup 10-10A : Orange subgroup: Representative Commodities (11) 
 Orange (7)
 Tangerine (7)
 Crop Group 10-10 Subgroup 10-10B : Lemon/Lime subgroup (10) 
 Crop Group 10-10 Subgroup 10-10B : Lemon/Lime subgroup: Representative Commodities (10) 
 Lemon (10)
 Lime (2)
 Kumquat (1)
 Crop Group 10-10 Subgroup 10-10C : Grapefruit subgroup (10) 
 Crop Group 10-10 Subgroup 10-10C : Grapefruit subgroup: Representative Commodities (10) 
 Grapefruit (10)
 Crop Group 10-10 Subgroup 10-10C : Grapefruit subgroup: Commodities (10) 
 Grapefruit (10)
 Crop Group 11 : Pome Fruits Group (53) 
 Crop Group 11 : Pome Fruits Group: Representative Commodities (40) 
 Apple (37)
 Pear (21)
 Crop Group 11 : Pome Fruits Group: Commodities (41) 
 Apple (37)
 Pear (21)
 Quince (2)
 Crop Group 11-10 : Pome Fruit Group (44) 
 Crop Group 11-10 : Pome Fruit Group: Representative Commodities (40) 
 Apple (37)
 Pear (21)
 Crop Group 11-10 : Pome Fruit Group: Commodities (41) 
 Apple (37)
 Pear (21)
 Quince (2)
 Crop Group 12 : Stone Fruits Group (55) 
 Crop Group 12 : Stone Fruits Group: Representative Commodities (31) 
 Peach (26)
 Plum (7)
 Crop Group 12 : Stone Fruits Group: Commodities (33) 
 Apricot (11)
 Nectarine (14)
 Peach (26)
 Plum (7)
 Crop Group 12-12 : Stone Fruit Group (39) 
 Crop Group 12-12 Subgroup 12-12B : Peach subgroup (28) 
 Crop Group 12-12 Subgroup 12-12B : Peach subgroup: Representative Commodities (26) 
 Peach (26)
 Crop Group 12-12 Subgroup 12-12B : Peach subgroup: Commodities (27) 
 Peach (26)
 Nectarine (14)
 Crop Group 12-12 Subgroup 12-12C : Plum subgroup (25) 
 Crop Group 12-12 Subgroup 12-12C : Plum subgroup: Representative Commodities (20) 
 Plum (7)
 Prune plum (18)
 Crop Group 12-12 Subgroup 12-12C : Plum subgroup: Commodities (24) 
 Apricot (11)
 Plum (7)
 Prune plum (18)
 Crop Group 13 : Berries Group (25) 
 Crop Group 13 Subgroup 13A : Caneberry (blackberry & raspberry) subgroup (11) 
 Crop Group 13 Subgroup 13A : Caneberry (blackberry & raspberry) subgroup: Representative Commodities (7) 
 Blackberry (5)
 Raspberry (7)
 Crop Group 13 Subgroup 13A : Caneberry (blackberry & raspberry) subgroup: Commodities (6) 
 Loganberry (4)
 Blackberry (6) 
 Boysenberry (4)
 Dewberry (2)
 Crop Group 13 Subgroup 13B : Bushberry subgroup (16) 
 Crop Group 13 Subgroup 13B : Bushberry subgroup: Commodities (15) 
 Blueberry, highbush & lowbush (15)
 Currant (5)
 Gooseberry (4)
 Crop Group 13-07 : Berry & Small Fruit Crop Group (62) 
 Crop Group 13-07 Subgroup 13-07A : Caneberry subgroup (17) 
 Crop Group 13-07 Subgroup 13-07A : Caneberry subgroup: Commodities (5) 
 Blackberry (5)
 Loganberry (4)
 Crop Group 13-07 Subgroup 13-07B : Bushberry subgroup (19) 
 Crop Group 13-07 Subgroup 13-07B : Bushberry subgroup: Commodities (6) 
 Gooseberry (4)
 Crop Group 13-07 Subgroup 13-07D : Small fruit vine climbing subgroup (41) 
 Crop Group 13-07 Subgroup 13-07D : Small fruit vine climbing subgroup: Representative Commodities (40) 
 Grape (40)
 Crop Group 13-07 Subgroup 13-07D : Small fruit vine climbing subgroup: Commodities (41) 
 Gooseberry (4)
 Grape (40)
 Crop Group 13-07 Subgroup 13-07E : Small fruit vine climbing (except grape) subgroup (5) 
 Crop Group 13-07 Subgroup 13-07E : Small fruit vine climbing (except grape) subgroup: Commodities (4) 
 Gooseberry (4)
 Crop Group 13-07 Subgroup 13-07F : Small fruit vine climbing (except fuzzy kiwifruit) subgroup (49) 
 Crop Group 13-07 Subgroup 13-07F : Small fruit vine climbing (except fuzzy kiwifruit) subgroup: Representative Commodities (40) 
 Grape (40)
 Crop Group 13-07 Subgroup 13-07F : Small fruit vine climbing (except fuzzy kiwifruit) subgroup: Commodities (41) 
 Gooseberry (4)
 Grape (40)
 Crop Group 13-07 Subgroup 13-07G : Low growing berry subgroup (45) 
 Crop Group 13-07 Subgroup 13-07G : Low growing berry subgroup: Representative Commodities (23) 
 Strawberry (23)
 Crop Group 13-07 Subgroup 13-07G : Low growing berry subgroup: Commodities (35) 
 Cranberry (27)
 Strawberry (23)
 Crop Group 13-07 Subgroup 13-07H : Low growing berry (except strawberry) subgroup (31) 
 Crop Group 13-07 Subgroup 13-07H : Low growing berry (except strawberry) subgroup: Representative Commodities (27) 
 Cranberry (27)
 Crop Group 13-07 Subgroup 13-07H : Low growing berry (except strawberry) subgroup: Commodities (28) 
 Cranberry (27)
 Crop Group 14 : Tree Nuts Group (53) 
 Crop Group 14 : Tree Nuts Group: Representative commodities (52) 
 Almond (46)
 Pecan (13)
 Crop Group 14 : Tree Nuts Group: Commodities (52) 
 Almond (46)
 Chestnut (3)
 Pecan (13)
 Crop Group 14-12 : Tree Nut Group (52) 
 Crop Group 14-12 : Tree Nut Group: Representative commodities (52) 
 Almond (46)
 Pecan (13)
 Crop Group 14-12 : Tree Nut Group: Commodities (52) 
 Almond (46)
 Chestnut (3)
 Pecan (13)
 Crop Group 15 : Cereal Grains Group (45) 
 Crop Group 15 : Cereal Grains Group: Representative commodities (41) 
 Rice, grain (19)
 Sorghum, grain (28)
 Wheat, grain (22)
 Crop Group 15 : Cereal Grains Group: Commodities (33) 
 Barley, grain (18)
 Rice, grain (19)
 Rye, grain (5)
 Wheat, grain (22)
 Crop Group 16 : Forage, Fodder & Straw of Cereal Grains Group (43) 
 Crop Group 16 : Forage, Fodder & Straw of Cereal Grains Group: Representative commodities (24) 
 Wheat, forage (23)
 Wheat, straw (24)
 Crop Group 16 : Forage, Fodder & Straw of Cereal Grains Group: Commodities (26) 
 Forage of all commodities included in the group cereal grains group (25) 
 Oat, forage (13)
 Rye, forage (8)
 Wheat, forage (23)
 Straw of all commodities included in the group cereal grains group (25) 
 Barley, straw (16)
 Oat, straw (14)
 Rye, straw (8)
 Wheat, straw (24)
 Crop Group 17 : Grass Forage, Fodder & Hay Group (42) 
 Cultivars, Varieties, and/or Hybrids of Crop Group 17 : Grass Forage, Fodder & Hay Group (26)
 Crop Group 17 : Grass Forage, Fodder & Hay Group: Commodities (32) 
 Crop Group 17 : Grass Forage, Fodder & Hay Group: Commodities, forage (24) 
 Clover, forage (7)
 Cowpea, forage (5)
 Soybean, forage (17)
 Trefoil, forage (3)
 Crop Group 17 : Grass Forage, Fodder & Hay Group: Commodities, hay (31) 
 Clover, hay (7)
 Cowpea, hay (6)
 Lespedeza, hay (1)
 Peanut, hay (19)
 Soybean, hay (17)
 Trefoil, hay (3)
 Vetch, hay (2)
 Crop Group 18 : Nongrass Animal Feeds (Forage, Fodder, Straw & Hay) Group (31) 
 Crop Group 18 : Nongrass Animal Feeds (Forage, Fodder, Straw & Hay) Group: Representative commodities (21) 
 Alfalfa (21)
 Crop Group 18 : Nongrass Animal Feeds (Forage, Fodder, Straw & Hay) Group: Commodities (7) 
 Crop Group 18 : Nongrass Animal Feeds (Forage, Fodder, Straw & Hay) Group: Commodities, forage (7) 
 Clover, forage (7)
 Trefoil, forage (3)
 Crop Group 18 : Nongrass Animal Feeds (Forage, Fodder, Straw & Hay) Group: Commodities, hay (7) 
 Clover, hay (7)
 Lespedeza, hay (1)
 Trefoil, hay (3)
 Vetch, hay (2)
 Crop Group 20 : Oilseed Group (22) 
 Crop Group 20 Subgroup 20B : Sunflower subgroup (19) 
 Crop Group 20 Subgroup 20B : Sunflower subgroup: Representative Commodities (16) 
 Sunflower, seed (16)
03. Biological Effects of Specific Chemicals 
03. Biological Effects of Specific Chemicals
 biochemical uses [CHEBI:52206] (3306) 
 enzyme inhibitor [CHEBI:23924] (825) 
 cholinesterase inhibitor [CHEBI:37733] (52) 
 malathion [CHEBI:6651] (1)
 acetylcholinesterase inhibitor [CHEBI:38462] (117) 
 malathion [CHEBI:6651] (1)
05. Industrial Uses 
05. Industrial Uses
 pesticide [CHEBI:25944] (211) 
 acaricide [CHEBI:22153] (76) 
 scabicide [CHEBI:73333] (3) 
 malathion [CHEBI:6651] (1)
 insecticide [CHEBI:24852] (37) 
 pediculicide [CHEBI:38706] (4) 
 malathion [CHEBI:6651] (1)
 agrochemical [CHEBI:33286] (142) 
 malathion [CHEBI:6651] (1)
08. Chemical Category 
08. Chemical Category
 main group molecular entity [CHEBI:33579] (25650) 
 p-block molecular entity [CHEBI:33675] (25343) 
 pnictogen molecular entity [CHEBI:33302] (10027) 
 phosphorus molecular entity [CHEBI:26082] (2769) 
 organophosphorus compound [CHEBI:25710] (1528) 
 organic phosphate [CHEBI:25703] (1511) 
 carboxyalkyl phosphate [CHEBI:36952] (14) 
 malathion [CHEBI:6651] (1)
 organic thiophosphate [CHEBI:37512] (53) 
 malathion [CHEBI:6651] (1)
 organothiophosphorus compound [CHEBI:25716] (53) 
 organic thiophosphate [CHEBI:37512] (53) 
 malathion [CHEBI:6651] (1)
 organophosphorus pesticide [CHEBI:39093] (67) 
 organophosphorus insecticide [CHEBI:25711] (67) 
 organothiophosphate insecticide [CHEBI:25715] (52) 
 malathion [CHEBI:6651] (1)
 phosphorus oxoacids and derivatives [CHEBI:36360] (2691) 
 phosphorus oxoacid derivative [CHEBI:36359] (2628) 
 phosphoric acid derivative [CHEBI:26079] (2611) 
 organic phosphate [CHEBI:25703] (1511) 
 carboxyalkyl phosphate [CHEBI:36952] (14) 
 malathion [CHEBI:6651] (1)
 organic thiophosphate [CHEBI:37512] (53) 
 malathion [CHEBI:6651] (1)
 phosphate [CHEBI:26020] (1522) 
 organic phosphate [CHEBI:25703] (1511) 
 carboxyalkyl phosphate [CHEBI:36952] (14) 
 malathion [CHEBI:6651] (1)
 organic thiophosphate [CHEBI:37512] (53) 
 malathion [CHEBI:6651] (1)
 thiophosphate [CHEBI:37511] (53) 
 organic thiophosphate [CHEBI:37512] (53) 
 malathion [CHEBI:6651] (1)
 phosphoric ester [CHEBI:37734] (1466) 
 carboxyalkyl phosphate [CHEBI:36952] (14) 
 malathion [CHEBI:6651] (1)
 organic thiophosphate [CHEBI:37512] (53) 
 malathion [CHEBI:6651] (1)
 chalcogen molecular entity [CHEBI:33304] (15225) 
 sulfur molecular entity [CHEBI:26835] (1541) 
 organothiophosphorus compound [CHEBI:25716] (53) 
 organic thiophosphate [CHEBI:37512] (53) 
 malathion [CHEBI:6651] (1)
 carbon group molecular entity [CHEBI:33582] (23847) 
 organic molecular entity [CHEBI:50860] (23769) 
 heteroorganic entity [CHEBI:33285] (15197) 
 organophosphorus compound [CHEBI:25710] (1528) 
 organic phosphate [CHEBI:25703] (1511) 
 carboxyalkyl phosphate [CHEBI:36952] (14) 
 malathion [CHEBI:6651] (1)
 organic thiophosphate [CHEBI:37512] (53) 
 malathion [CHEBI:6651] (1)
 organothiophosphorus compound [CHEBI:25716] (53) 
 organic thiophosphate [CHEBI:37512] (53) 
 malathion [CHEBI:6651] (1)
 organophosphorus pesticide [CHEBI:39093] (67) 
 organophosphorus insecticide [CHEBI:25711] (67) 
 organothiophosphate insecticide [CHEBI:25715] (52) 
 malathion [CHEBI:6651] (1)
 ester [CHEBI:35701] (3370) 
 phosphoric ester [CHEBI:37734] (1466) 
 carboxyalkyl phosphate [CHEBI:36952] (14) 
 malathion [CHEBI:6651] (1)
 organic thiophosphate [CHEBI:37512] (53) 
 malathion [CHEBI:6651] (1)
 polyatomic entity [CHEBI:36357] (18777) 
 heteroatomic molecular entity [CHEBI:37577] (13672) 
 oxoacid derivative [CHEBI:33241] (3254) 
 phosphorus oxoacid derivative [CHEBI:36359] (2628) 
 phosphoric acid derivative [CHEBI:26079] (2611) 
 organic phosphate [CHEBI:25703] (1511) 
 carboxyalkyl phosphate [CHEBI:36952] (14) 
 malathion [CHEBI:6651] (1)
 organic thiophosphate [CHEBI:37512] (53) 
 malathion [CHEBI:6651] (1)
 phosphate [CHEBI:26020] (1522) 
 organic phosphate [CHEBI:25703] (1511) 
 carboxyalkyl phosphate [CHEBI:36952] (14) 
 malathion [CHEBI:6651] (1)
 organic thiophosphate [CHEBI:37512] (53) 
 malathion [CHEBI:6651] (1)
 thiophosphate [CHEBI:37511] (53) 
 organic thiophosphate [CHEBI:37512] (53) 
 malathion [CHEBI:6651] (1)
 phosphoric ester [CHEBI:37734] (1466) 
 carboxyalkyl phosphate [CHEBI:36952] (14) 
 malathion [CHEBI:6651] (1)
 organic thiophosphate [CHEBI:37512] (53) 
 malathion [CHEBI:6651] (1)
ChEBI Compound Accession Identifier:   [CHEBI:6651]
ChEBI Compound Description:   null
ChEBI Compound Identification Number:   6651
ChEBI InChI Value:   InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3
ChEBI InChIKey Value:   JXSJBGJIGXNWCI-UHFFFAOYSA-N
ChEBI Compound Name:   malathion
ChEBI SMILES Value:   CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC
ChEBI Substance ID:   11533337
ChEBI URL:   ChEBI:6651
ChemSpider ID:   NS
Ontomatica Chemical Accession Key (OnChAKey):   JXSJBGJIGXNWCI_UHFFFAOYSA_N_000_000000
PubChem Compound ID:   4004