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ajugalactone
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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)

alcohol [CHEBI:30879] (1371)

hydroxy steroid [CHEBI:35350] (392)

phytosteroid [CHEBI:26124] (39)

phytoecdysteroid [CHEBI:26118] (11)

ajugalactone [CHEBI:27984] (1)

3-hydroxy steroid [CHEBI:36834] (216)

3beta-hydroxy steroid [CHEBI:36836] (126)

ajugalactone [CHEBI:27984] (1)

20-hydroxy steroid [CHEBI:36854] (24)

ajugalactone [CHEBI:27984] (1)

2-hydroxy steroid [CHEBI:36857] (19)

2beta-hydroxy steroid [CHEBI:36859] (10)

ajugalactone [CHEBI:27984] (1)

14-hydroxy steroid [CHEBI:36860] (35)

14alpha-hydroxy steroid [CHEBI:36861] (11)

ajugalactone [CHEBI:27984] (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)

alcohol [CHEBI:30879] (1371)

hydroxy steroid [CHEBI:35350] (392)

phytosteroid [CHEBI:26124] (39)

phytoecdysteroid [CHEBI:26118] (11)

ajugalactone [CHEBI:27984] (1)

3-hydroxy steroid [CHEBI:36834] (216)

3beta-hydroxy steroid [CHEBI:36836] (126)

ajugalactone [CHEBI:27984] (1)

20-hydroxy steroid [CHEBI:36854] (24)

ajugalactone [CHEBI:27984] (1)

2-hydroxy steroid [CHEBI:36857] (19)

2beta-hydroxy steroid [CHEBI:36859] (10)

ajugalactone [CHEBI:27984] (1)

14-hydroxy steroid [CHEBI:36860] (35)

14alpha-hydroxy steroid [CHEBI:36861] (11)

ajugalactone [CHEBI:27984] (1)

organooxygen compound [CHEBI:36963] (11352)

carbonyl compound [CHEBI:36586] (5928)

ketone [CHEBI:17087] (1288)

oxo steroid [CHEBI:35789] (232)

6-oxo steroid [CHEBI:36883] (16)

ajugalactone [CHEBI:27984] (1)

12-oxo steroid [CHEBI:48070] (1)

ajugalactone [CHEBI:27984] (1)

carboxylic ester [CHEBI:33308] (1495)

lactone [CHEBI:25000] (516)

steroid lactone [CHEBI:26766] (23)

ajugalactone [CHEBI:27984] (1)

oxacycle [CHEBI:38104] (2002)

lactone [CHEBI:25000] (516)

steroid lactone [CHEBI:26766] (23)

ajugalactone [CHEBI:27984] (1)

								organochalcogen compound [CHEBI:36962] (11874)

									organooxygen compound [CHEBI:36963] (11352)

carbonyl compound [CHEBI:36586] (5928)

ketone [CHEBI:17087] (1288)

oxo steroid [CHEBI:35789] (232)

6-oxo steroid [CHEBI:36883] (16)

ajugalactone [CHEBI:27984] (1)

12-oxo steroid [CHEBI:48070] (1)

ajugalactone [CHEBI:27984] (1)

carboxylic ester [CHEBI:33308] (1495)

lactone [CHEBI:25000] (516)

steroid lactone [CHEBI:26766] (23)

ajugalactone [CHEBI:27984] (1)

oxacycle [CHEBI:38104] (2002)

lactone [CHEBI:25000] (516)

steroid lactone [CHEBI:26766] (23)

ajugalactone [CHEBI:27984] (1)

						carbon group molecular entity [CHEBI:33582] (23847)

							organic molecular entity [CHEBI:50860] (23769)

								lipid [CHEBI:18059] (3532)

steroid [CHEBI:35341] (716)

steroid lactone [CHEBI:26766] (23)

ajugalactone [CHEBI:27984] (1)

hydroxy steroid [CHEBI:35350] (392)

phytosteroid [CHEBI:26124] (39)

phytoecdysteroid [CHEBI:26118] (11)

ajugalactone [CHEBI:27984] (1)

3-hydroxy steroid [CHEBI:36834] (216)

3beta-hydroxy steroid [CHEBI:36836] (126)

ajugalactone [CHEBI:27984] (1)

20-hydroxy steroid [CHEBI:36854] (24)

ajugalactone [CHEBI:27984] (1)

2-hydroxy steroid [CHEBI:36857] (19)

2beta-hydroxy steroid [CHEBI:36859] (10)

ajugalactone [CHEBI:27984] (1)

14-hydroxy steroid [CHEBI:36860] (35)

14alpha-hydroxy steroid [CHEBI:36861] (11)

ajugalactone [CHEBI:27984] (1)

oxo steroid [CHEBI:35789] (232)

6-oxo steroid [CHEBI:36883] (16)

ajugalactone [CHEBI:27984] (1)

12-oxo steroid [CHEBI:48070] (1)

ajugalactone [CHEBI:27984] (1)

								heteroorganic entity [CHEBI:33285] (15197)

organic heterocyclic compound [CHEBI:24532] (5243)

oxacycle [CHEBI:38104] (2002)

lactone [CHEBI:25000] (516)

steroid lactone [CHEBI:26766] (23)

ajugalactone [CHEBI:27984] (1)

organochalcogen compound [CHEBI:36962] (11874)

organooxygen compound [CHEBI:36963] (11352)

carbonyl compound [CHEBI:36586] (5928)

ketone [CHEBI:17087] (1288)

oxo steroid [CHEBI:35789] (232)

6-oxo steroid [CHEBI:36883] (16)

ajugalactone [CHEBI:27984] (1)

12-oxo steroid [CHEBI:48070] (1)

ajugalactone [CHEBI:27984] (1)

carboxylic ester [CHEBI:33308] (1495)

lactone [CHEBI:25000] (516)

steroid lactone [CHEBI:26766] (23)

ajugalactone [CHEBI:27984] (1)

oxacycle [CHEBI:38104] (2002)

lactone [CHEBI:25000] (516)

steroid lactone [CHEBI:26766] (23)

ajugalactone [CHEBI:27984] (1)

								organic hydroxy compound [CHEBI:33822] (3050)

alcohol [CHEBI:30879] (1371)

hydroxy steroid [CHEBI:35350] (392)

phytosteroid [CHEBI:26124] (39)

phytoecdysteroid [CHEBI:26118] (11)

ajugalactone [CHEBI:27984] (1)

3-hydroxy steroid [CHEBI:36834] (216)

3beta-hydroxy steroid [CHEBI:36836] (126)

ajugalactone [CHEBI:27984] (1)

20-hydroxy steroid [CHEBI:36854] (24)

ajugalactone [CHEBI:27984] (1)

2-hydroxy steroid [CHEBI:36857] (19)

2beta-hydroxy steroid [CHEBI:36859] (10)

ajugalactone [CHEBI:27984] (1)

14-hydroxy steroid [CHEBI:36860] (35)

14alpha-hydroxy steroid [CHEBI:36861] (11)

ajugalactone [CHEBI:27984] (1)

								ester [CHEBI:35701] (3370)

lactone [CHEBI:25000] (516)

steroid lactone [CHEBI:26766] (23)

ajugalactone [CHEBI:27984] (1)

carboxylic ester [CHEBI:33308] (1495)

lactone [CHEBI:25000] (516)

steroid lactone [CHEBI:26766] (23)

ajugalactone [CHEBI:27984] (1)

								organic molecule [CHEBI:72695] (11399)

									organic cyclic compound [CHEBI:33832] (7633)

organic heterocyclic compound [CHEBI:24532] (5243)

oxacycle [CHEBI:38104] (2002)

lactone [CHEBI:25000] (516)

steroid lactone [CHEBI:26766] (23)

ajugalactone [CHEBI:27984] (1)

organic polycyclic compound [CHEBI:51958] (1654)

steroid [CHEBI:35341] (716)

steroid lactone [CHEBI:26766] (23)

ajugalactone [CHEBI:27984] (1)

hydroxy steroid [CHEBI:35350] (392)

phytosteroid [CHEBI:26124] (39)

phytoecdysteroid [CHEBI:26118] (11)

ajugalactone [CHEBI:27984] (1)

3-hydroxy steroid [CHEBI:36834] (216)

3beta-hydroxy steroid [CHEBI:36836] (126)

ajugalactone [CHEBI:27984] (1)

20-hydroxy steroid [CHEBI:36854] (24)

ajugalactone [CHEBI:27984] (1)

2-hydroxy steroid [CHEBI:36857] (19)

2beta-hydroxy steroid [CHEBI:36859] (10)

ajugalactone [CHEBI:27984] (1)

14-hydroxy steroid [CHEBI:36860] (35)

14alpha-hydroxy steroid [CHEBI:36861] (11)

ajugalactone [CHEBI:27984] (1)

oxo steroid [CHEBI:35789] (232)

6-oxo steroid [CHEBI:36883] (16)

ajugalactone [CHEBI:27984] (1)

12-oxo steroid [CHEBI:48070] (1)

ajugalactone [CHEBI:27984] (1)

									organic oxo compound [CHEBI:36587] (5932)

carbonyl compound [CHEBI:36586] (5928)

ketone [CHEBI:17087] (1288)

oxo steroid [CHEBI:35789] (232)

6-oxo steroid [CHEBI:36883] (16)

ajugalactone [CHEBI:27984] (1)

12-oxo steroid [CHEBI:48070] (1)

ajugalactone [CHEBI:27984] (1)

carboxylic ester [CHEBI:33308] (1495)

lactone [CHEBI:25000] (516)

steroid lactone [CHEBI:26766] (23)

ajugalactone [CHEBI:27984] (1)

			polyatomic entity [CHEBI:36357] (18777)

				molecule [CHEBI:25367] (11520)

						cyclic compound [CHEBI:33595] (7817)

								polycyclic compound [CHEBI:33635] (4078)

organic polycyclic compound [CHEBI:51958] (1654)

steroid [CHEBI:35341] (716)

steroid lactone [CHEBI:26766] (23)

ajugalactone [CHEBI:27984] (1)

hydroxy steroid [CHEBI:35350] (392)

phytosteroid [CHEBI:26124] (39)

phytoecdysteroid [CHEBI:26118] (11)

ajugalactone [CHEBI:27984] (1)

3-hydroxy steroid [CHEBI:36834] (216)

3beta-hydroxy steroid [CHEBI:36836] (126)

ajugalactone [CHEBI:27984] (1)

20-hydroxy steroid [CHEBI:36854] (24)

ajugalactone [CHEBI:27984] (1)

2-hydroxy steroid [CHEBI:36857] (19)

2beta-hydroxy steroid [CHEBI:36859] (10)

ajugalactone [CHEBI:27984] (1)

14-hydroxy steroid [CHEBI:36860] (35)

14alpha-hydroxy steroid [CHEBI:36861] (11)

ajugalactone [CHEBI:27984] (1)

oxo steroid [CHEBI:35789] (232)

6-oxo steroid [CHEBI:36883] (16)

ajugalactone [CHEBI:27984] (1)

12-oxo steroid [CHEBI:48070] (1)

ajugalactone [CHEBI:27984] (1)

								organic cyclic compound [CHEBI:33832] (7633)

organic heterocyclic compound [CHEBI:24532] (5243)

oxacycle [CHEBI:38104] (2002)

lactone [CHEBI:25000] (516)

steroid lactone [CHEBI:26766] (23)

ajugalactone [CHEBI:27984] (1)

organic polycyclic compound [CHEBI:51958] (1654)

steroid [CHEBI:35341] (716)

steroid lactone [CHEBI:26766] (23)

ajugalactone [CHEBI:27984] (1)

hydroxy steroid [CHEBI:35350] (392)

phytosteroid [CHEBI:26124] (39)

phytoecdysteroid [CHEBI:26118] (11)

ajugalactone [CHEBI:27984] (1)

3-hydroxy steroid [CHEBI:36834] (216)

3beta-hydroxy steroid [CHEBI:36836] (126)

ajugalactone [CHEBI:27984] (1)

20-hydroxy steroid [CHEBI:36854] (24)

ajugalactone [CHEBI:27984] (1)

2-hydroxy steroid [CHEBI:36857] (19)

2beta-hydroxy steroid [CHEBI:36859] (10)

ajugalactone [CHEBI:27984] (1)

14-hydroxy steroid [CHEBI:36860] (35)

14alpha-hydroxy steroid [CHEBI:36861] (11)

ajugalactone [CHEBI:27984] (1)

oxo steroid [CHEBI:35789] (232)

6-oxo steroid [CHEBI:36883] (16)

ajugalactone [CHEBI:27984] (1)

12-oxo steroid [CHEBI:48070] (1)

ajugalactone [CHEBI:27984] (1)

								heterocyclic compound [CHEBI:5686] (5275)

									organic heterocyclic compound [CHEBI:24532] (5243)

oxacycle [CHEBI:38104] (2002)

lactone [CHEBI:25000] (516)

steroid lactone [CHEBI:26766] (23)

ajugalactone [CHEBI:27984] (1)

						organic molecule [CHEBI:72695] (11399)

							organic cyclic compound [CHEBI:33832] (7633)

									organic heterocyclic compound [CHEBI:24532] (5243)

oxacycle [CHEBI:38104] (2002)

lactone [CHEBI:25000] (516)

steroid lactone [CHEBI:26766] (23)

ajugalactone [CHEBI:27984] (1)

									organic polycyclic compound [CHEBI:51958] (1654)

steroid [CHEBI:35341] (716)

steroid lactone [CHEBI:26766] (23)

ajugalactone [CHEBI:27984] (1)

hydroxy steroid [CHEBI:35350] (392)

phytosteroid [CHEBI:26124] (39)

phytoecdysteroid [CHEBI:26118] (11)

ajugalactone [CHEBI:27984] (1)

3-hydroxy steroid [CHEBI:36834] (216)

3beta-hydroxy steroid [CHEBI:36836] (126)

ajugalactone [CHEBI:27984] (1)

20-hydroxy steroid [CHEBI:36854] (24)

ajugalactone [CHEBI:27984] (1)

2-hydroxy steroid [CHEBI:36857] (19)

2beta-hydroxy steroid [CHEBI:36859] (10)

ajugalactone [CHEBI:27984] (1)

14-hydroxy steroid [CHEBI:36860] (35)

14alpha-hydroxy steroid [CHEBI:36861] (11)

ajugalactone [CHEBI:27984] (1)

oxo steroid [CHEBI:35789] (232)

6-oxo steroid [CHEBI:36883] (16)

ajugalactone [CHEBI:27984] (1)

12-oxo steroid [CHEBI:48070] (1)

ajugalactone [CHEBI:27984] (1)

							organic oxo compound [CHEBI:36587] (5932)

								carbonyl compound [CHEBI:36586] (5928)

									ketone [CHEBI:17087] (1288)

oxo steroid [CHEBI:35789] (232)

6-oxo steroid [CHEBI:36883] (16)

ajugalactone [CHEBI:27984] (1)

12-oxo steroid [CHEBI:48070] (1)

ajugalactone [CHEBI:27984] (1)

									carboxylic ester [CHEBI:33308] (1495)

lactone [CHEBI:25000] (516)

steroid lactone [CHEBI:26766] (23)

ajugalactone [CHEBI:27984] (1)

				heteroatomic molecular entity [CHEBI:37577] (13672)

					hydroxides [CHEBI:24651] (5641)

						organic hydroxy compound [CHEBI:33822] (3050)

							alcohol [CHEBI:30879] (1371)

								hydroxy steroid [CHEBI:35350] (392)

									phytosteroid [CHEBI:26124] (39)

phytoecdysteroid [CHEBI:26118] (11)

ajugalactone [CHEBI:27984] (1)

									3-hydroxy steroid [CHEBI:36834] (216)

3beta-hydroxy steroid [CHEBI:36836] (126)

ajugalactone [CHEBI:27984] (1)

									20-hydroxy steroid [CHEBI:36854] (24)

ajugalactone [CHEBI:27984] (1)

									2-hydroxy steroid [CHEBI:36857] (19)

2beta-hydroxy steroid [CHEBI:36859] (10)

ajugalactone [CHEBI:27984] (1)

									14-hydroxy steroid [CHEBI:36860] (35)

14alpha-hydroxy steroid [CHEBI:36861] (11)

ajugalactone [CHEBI:27984] (1)

ChEBI Compound Accession Identifier:

[CHEBI:27984]

ChEBI Compound Description:

null

ChEBI Compound Identification Number:

27984

ChEBI InChI Value:

InChI=1S/C29H40O8/c1-6-15-9-24(37-25(34)14(15)2)28(5,35)22-7-8-29(36)17-10-19(30)18-11-20(31)21(32)13-26(18,3)16(17)12-23(33)27(22,29)4/h10,16,18,20-22,24,31-32,35-36H,6-9,11-13H2,1-5H3/t16-,18-,20+,21-,22-,24+,26+,27-,28+,29+/m0/s1

ChEBI InChIKey Value:

LLPOMLNTBDOEOC-LYUHEGIFSA-N

ChEBI Compound Name:

ajugalactone

ChEBI SMILES Value:

[H][C@@]1(CC(CC)=C(C)C(=O)O1)[C@](C)(O)[C@@]1([H])CC[C@@]2(O)C3=CC(=O)[C@]4([H])C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@]3([H])CC(=O)[C@]12C

ChEBI Substance ID:

46530482

ChEBI URL:

ChemSpider ID:

NS

Ontomatica Chemical Accession Key (OnChAKey):

LLPOMLNTBDOEOC_LYUHEGIFSA_N_000_000000

PubChem Compound ID:

181744