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grayanotoxin I
A tetracyclic diterpenoid that is grayanotoxane in which the pro-R hydrogen at position 14 is substituted by an acetoxy group and in which the 3beta-, 5-, 6beta-, 10-, and 16- positions are substituted by hydroxy groups.


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03. Biological Effects of Specific Chemicals 
03. Biological Effects of Specific Chemicals
 biochemical uses [CHEBI:52206] (3306) 
 metabolite [CHEBI:25212] (2692) 
 secondary metabolite [CHEBI:26619] (2225) 
 grayanotoxin I [CHEBI:5542] (1)
 toxin [CHEBI:27026] (45) 
 phytotoxin [CHEBI:38231] (17) 
 grayanotoxin I [CHEBI:5542] (1)
05. Industrial Uses 
05. Industrial Uses
 pharmaceutical [CHEBI:52217] (1978) 
 drug [CHEBI:23888] (1930) 
 antihypertensive agent [CHEBI:35674] (104) 
 grayanotoxin I [CHEBI:5542] (1)
 neuromuscular agent [CHEBI:51372] (51) 
 grayanotoxin I [CHEBI:5542] (1)
08. Chemical Category 
08. Chemical Category
 main group molecular entity [CHEBI:33579] (25650) 
 s-block molecular entity [CHEBI:33674] (7287) 
 hydrogen molecular entity [CHEBI:33608] (6932) 
 hydroxides [CHEBI:24651] (5641) 
 organic hydroxy compound [CHEBI:33822] (3050) 
 polyol [CHEBI:26191] (437) 
 pentol [CHEBI:37205] (4) 
 grayanotoxin I [CHEBI:5542] (1)
 alcohol [CHEBI:30879] (1371) 
 tertiary alcohol [CHEBI:26878] (183) 
 grayanotoxin I [CHEBI:5542] (1)
 secondary alcohol [CHEBI:35681] (342) 
 grayanotoxin I [CHEBI:5542] (1)
 p-block molecular entity [CHEBI:33675] (25343) 
 chalcogen molecular entity [CHEBI:33304] (15225) 
 oxygen molecular entity [CHEBI:25806] (14414) 
 hydroxides [CHEBI:24651] (5641) 
 organic hydroxy compound [CHEBI:33822] (3050) 
 polyol [CHEBI:26191] (437) 
 pentol [CHEBI:37205] (4) 
 grayanotoxin I [CHEBI:5542] (1)
 alcohol [CHEBI:30879] (1371) 
 tertiary alcohol [CHEBI:26878] (183) 
 grayanotoxin I [CHEBI:5542] (1)
 secondary alcohol [CHEBI:35681] (342) 
 grayanotoxin I [CHEBI:5542] (1)
 organooxygen compound [CHEBI:36963] (11352) 
 carbonyl compound [CHEBI:36586] (5928) 
 carboxylic ester [CHEBI:33308] (1495) 
 acetate ester [CHEBI:47622] (184) 
 grayanotoxin I [CHEBI:5542] (1)
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 carbonyl compound [CHEBI:36586] (5928) 
 carboxylic ester [CHEBI:33308] (1495) 
 acetate ester [CHEBI:47622] (184) 
 grayanotoxin I [CHEBI:5542] (1)
 carbon group molecular entity [CHEBI:33582] (23847) 
 organic molecular entity [CHEBI:50860] (23769) 
 lipid [CHEBI:18059] (3532) 
 isoprenoid [CHEBI:24913] (1402) 
 terpenoid [CHEBI:26873] (1099) 
 diterpenoid [CHEBI:23849] (265) 
 tetracyclic diterpenoid [CHEBI:52557] (25) 
 grayanotoxin I [CHEBI:5542] (1)
 isoprenoid [CHEBI:24913] (1402) 
 terpenoid [CHEBI:26873] (1099) 
 diterpenoid [CHEBI:23849] (265) 
 tetracyclic diterpenoid [CHEBI:52557] (25) 
 grayanotoxin I [CHEBI:5542] (1)
 heteroorganic entity [CHEBI:33285] (15197) 
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 carbonyl compound [CHEBI:36586] (5928) 
 carboxylic ester [CHEBI:33308] (1495) 
 acetate ester [CHEBI:47622] (184) 
 grayanotoxin I [CHEBI:5542] (1)
 organic hydroxy compound [CHEBI:33822] (3050) 
 polyol [CHEBI:26191] (437) 
 pentol [CHEBI:37205] (4) 
 grayanotoxin I [CHEBI:5542] (1)
 alcohol [CHEBI:30879] (1371) 
 tertiary alcohol [CHEBI:26878] (183) 
 grayanotoxin I [CHEBI:5542] (1)
 secondary alcohol [CHEBI:35681] (342) 
 grayanotoxin I [CHEBI:5542] (1)
 ester [CHEBI:35701] (3370) 
 carboxylic ester [CHEBI:33308] (1495) 
 acetate ester [CHEBI:47622] (184) 
 grayanotoxin I [CHEBI:5542] (1)
 organic molecule [CHEBI:72695] (11399) 
 organic oxo compound [CHEBI:36587] (5932) 
 carbonyl compound [CHEBI:36586] (5928) 
 carboxylic ester [CHEBI:33308] (1495) 
 acetate ester [CHEBI:47622] (184) 
 grayanotoxin I [CHEBI:5542] (1)
 polyatomic entity [CHEBI:36357] (18777) 
 molecule [CHEBI:25367] (11520) 
 organic molecule [CHEBI:72695] (11399) 
 organic oxo compound [CHEBI:36587] (5932) 
 carbonyl compound [CHEBI:36586] (5928) 
 carboxylic ester [CHEBI:33308] (1495) 
 acetate ester [CHEBI:47622] (184) 
 grayanotoxin I [CHEBI:5542] (1)
 heteroatomic molecular entity [CHEBI:37577] (13672) 
 hydroxides [CHEBI:24651] (5641) 
 organic hydroxy compound [CHEBI:33822] (3050) 
 polyol [CHEBI:26191] (437) 
 pentol [CHEBI:37205] (4) 
 grayanotoxin I [CHEBI:5542] (1)
 alcohol [CHEBI:30879] (1371) 
 tertiary alcohol [CHEBI:26878] (183) 
 grayanotoxin I [CHEBI:5542] (1)
 secondary alcohol [CHEBI:35681] (342) 
 grayanotoxin I [CHEBI:5542] (1)
ChEBI Compound Accession Identifier  [CHEBI:5542]
ChEBI Compound Description  A tetracyclic diterpenoid that is grayanotoxane in which the pro-R hydrogen at position 14 is substituted by an acetoxy group and in which the 3beta-, 5-, 6beta-, 10-, and 16- positions are substituted by hydroxy groups.
ChEBI Compound Identification Number  5542
ChEBI InChI Value  InChI=1S/C22H36O7/c1-11(23)29-17-12-6-7-13-20(5,27)14-8-15(24)18(2,3)22(14,28)16(25)9-21(13,17)10-19(12,4)26/h12-17,24-28H,6-10H2,1-5H3/t12-,13+,14+,15+,16-,17-,19-,20-,21+,22+/m1/s1
ChEBI InChIKey Value  NXCYBYJXCJWMRY-VGBBEZPXSA-N
ChEBI Compound Name  grayanotoxin I
ChEBI SMILES Value  [H][C@]12CC[C@H]3[C@@](C)(O)[C@]4([H])C[C@H](O)C(C)(C)[C@@]4(O)[C@H](O)C[C@@]3(C[C@@]1(C)O)[C@@H]2OC(C)=O
ChEBI Substance ID  14717844
ChEBI URL  ChEBI:5542
ChemSpider ID  7827535
Ontomatica Chemical Accession Key (OnChAKey)  NXCYBYJXCJWMRY_VGBBEZPXSA_N_000_000000
PubChem Compound ID  9548612