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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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