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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > bile acids > bile acid > 3,12-dioxochola-1,4,9(11)-trien-24-oic acid

Preferred term

3,12-dioxochola-1,4,9(11)-trien-24-oic acid  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C24H30O4

inchi

  • InChI=1S/C24H30O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h10-14,17-19H,4-9H2,1-3H3,(H,27,28)/t14-,17+,18-,19+,23+,24-/m1/s1

inchikey

  • NQKQGGHYLFQMPH-CRLZMITESA-N

mass

  • 382.500

monoisotopicmass

  • 382.21441

smiles

  • O=C1[C@]2([C@]([C@]3(C([C@@]4(C(CC3)=CC(=O)C=C4)C)=C1)[H])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H])C

subset

  • 2_STAR

synonym EXACT

  • (4R)-4-[(8S,10S,13R,14S,17R)-10,13-dimethyl-3,12-dioxo-7,8,14,15,16,17-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:185672

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