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3,7,12-Trioxochola-1,5-dien-24-oic acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM114740

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₂₄H₃₀O₅

charge

mass

398.20932

reference

chebi:166707

InChIKey

YOXRGYRGBIKDNJ-UJRQNWHJSA-N

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/h8-9,11,13,16-18,22H,4-7,10,12H2,1-3H3,(H,28,29)/t13-,16-,17+,18+,22+,23+,24-/m1/s1

SMILES

C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4CC(=O)C=C[C@]4(C)[C@H]3CC(=O)[C@@]21C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:166707 chebi:166707	3,7,12-Trioxochola-1,5-dien-24-oic acid (4R)-4-[(8R,9S,10R,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-4,8,9,11,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
lipidmaps:LMST04010366 lipidmapsM:LMST04010366	3,7,12-Trioxochola-1,5-dien-24-oic Acid O5 ST 24:6