input word = C00043200

Metabolite InformationStructural formula
Name 3-Oxo-chol-4-en-24-oic acid
(+)-3-Oxo-chol-4-en-24-oic acid
Formula C24H36O3
Mw 372.26644502
CAS RN 1452-29-5
C_ID C00043200 ,
InChIKey WCFIGQHNBJXROP-GUBOGGJCNA-N
InChICode InChI=1S/C24H36O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h14-15,18-21H,4-13H2,1-3H3,(H,26,27)/t15-,18+,19-,20+,21+,23+,24-/m1/s1
SMILES C1[C@H]2[C@H]([C@H]3[C@](C1)([C@H](CC3)[C@H](C)CCC(=O)O)C)CCC1=CC(=O)CC[C@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Eleutherobia sp. Ref.
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