CHEBI:190341 - 23-Hydroxy-3-oxocycloart-24-en-26-oic acid

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 23-Hydroxy-3-oxocycloart-24-en-26-oic acid
ChEBI ID CHEBI:190341
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H46O4
Net Charge 0
Average Mass 470.694
Monoisotopic Mass 470.33961
InChI InChI=1S/C30H46O4/c1-18(15-20(31)16-19(2)25(33)34)21-9-11-28(6)23-8-7-22-26(3,4)24(32)10-12-29(22)17-30(23,29)14-13-27(21,28)5/h16,18,20-23,31H,7-15,17H2,1-6H3,(H,33,34)/b19-16-
InChIKey WQMAGDSBYCIARL-MNDPQUGUSA-N
SMILES O=C1C(C2C3(C4(C3)C(C5(C(CC4)(C(CC5)C(CC(O)/C=C(/C)\C(O)=O)C)C)C)CC2)CC1)(C)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in intestinal content (MEO:0000968). of strain C57BL/6J  [EFO:0000606] See: MetaboLights Study
ChEBI Ontology
Outgoing 23-Hydroxy-3-oxocycloart-24-en-26-oic acid (CHEBI:190341) is a triterpenoid (CHEBI:36615)
IUPAC Name
(Z)-4-hydroxy-2-methyl-6-(7,7,12,16-tetramethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)hept-2-enoic acid
Manual Xref Database
HMDB0034568 HMDB
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