CHEBI:175714 - (3beta,23xi)-3,23-Dihydroxycycloart-24-en-26-oic acid

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ChEBI Name (3beta,23xi)-3,23-Dihydroxycycloart-24-en-26-oic acid
ChEBI ID CHEBI:175714
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C30H48O4
Net Charge 0
Average Mass 472.710
Monoisotopic Mass 472.35526
InChI InChI=1S/C30H48O4/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/h16,18,20-24,31-32H,7-15,17H2,1-6H3,(H,33,34)/b19-16-
InChIKey MZUPEDPADUBWHX-MNDPQUGUSA-N
SMILES OC1C(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
ChEBI Ontology
Outgoing (3beta,23xi)-3,23-Dihydroxycycloart-24-en-26-oic acid (CHEBI:175714) is a triterpenoid (CHEBI:36615)
IUPAC Name
(Z)-4-hydroxy-6-(6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)-2-methylhept-2-enoic acid
Manual Xrefs Databases
74886407 ChemSpider
HMDB0034567 HMDB
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