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Concept information

Preferred term

12 Hydroxy 3 oxochola 4,6 dien 24 oic Acid  

Type

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

Broader concept

charge

  • 0

formula

  • C24H34O4

inchi

  • InChI=1S/C24H34O4/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/h5-6,12,14,17-21,26H,4,7-11,13H2,1-3H3,(H,27,28)/t14-,17+,18-,19+,20+,21?,23+,24-/m1/s1

inchikey

  • DJVAMCYXFUWMLS-MQRWXTHCSA-N

mass

  • 386.532

monoisotopicmass

  • 386.24571

smiles

  • OC1[C@]2([C@]([C@]3([C@](C1)([C@@]4(C(C=C3)=CC(=O)CC4)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)-12-hydroxy-10,13-dimethyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:156192

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