Concept information
...
carbonyl compound
carboxylic acid
monocarboxylic acid
alpha,beta-unsaturated monocarboxylic acid
...
carbonyl compound
carboxylic acid
monocarboxylic acid
alpha,beta-unsaturated monocarboxylic acid
Preferred term
8alpha,19-dihydroxylabd-13e-ene-15-oic acid
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C20H34O4
has_role
- CHEBI:50630
- cyclooxygenase 2 inhibitor
- plant metabolite
inchi
- InChI=1S/C20H34O4/c1-14(12-17(22)23)6-7-16-19(3)10-5-9-18(2,13-21)15(19)8-11-20(16,4)24/h12,15-16,21,24H,5-11,13H2,1-4H3,(H,22,23)/b14-12+/t15-,16+,18-,19-,20+/m0/s1
inchikey
- IYSBWLRXTOIYFZ-KBLZDMJYSA-N
mass
- 338.48160
monoisotopicmass
- 338.24571
smiles
- [H][C@@]12CC[C@@](C)(O)[C@H](CC/C(C)=C/C(O)=O)[C@@]1(C)CCC[C@@]2(C)CO
subset
- 3_STAR
synonym EXACT
- (2E)-5-[(1R,2R,4aR,5R,8aS)-2-hydroxy-5-(hydroxymethyl)-2,5,8a-trimethyldecahydronaphthalen-1-yl]-3-methylpent-2-enoic acid
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:65789
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