Concept information
Preferred term
3,7,12-trioxochola-1,4-dien-24-oic acid
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C24H30O5
inchi
- InChI=1S/C24H30O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h8-10,13,16-18,22H,4-7,11-12H2,1-3H3,(H,28,29)/t13-,16-,17+,18+,22+,23+,24-/m1/s1
inchikey
- OWMHJRCOYHXTBV-UJRQNWHJSA-N
mass
- 398.499
monoisotopicmass
- 398.20932
smiles
- O=C1[C@]2([C@]([C@]3([C@](C1)([C@@]4(C(CC3=O)=CC(=O)C=C4)C)[H])[H])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H])C
subset
- 2_STAR
synonym EXACT
- (4R)-4-[(8R,9S,10R,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-6,8,9,11,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:187761
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