CHEBI:172725 - Methyl 3b-hydroxy-13(18)-oleanen-28-oate

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ChEBI Name Methyl 3b-hydroxy-13(18)-oleanen-28-oate
ChEBI ID CHEBI:172725
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H52O4
Net Charge 0
Average Mass 512.775
Monoisotopic Mass 512.38656
InChI InChI=1S/C33H52O4/c1-21(34)37-26-13-14-30(6)24(29(26,4)5)12-15-32(8)25(30)11-10-22-23-20-28(2,3)16-18-33(23,27(35)36-9)19-17-31(22,32)7/h24-26H,10-20H2,1-9H3
InChIKey VNBZCSKDIGCTNO-UHFFFAOYSA-N
SMILES O(C1C(C2C(C3C(C4(C(CC3)=C5C(CC4)(CCC(C5)(C)C)C(OC)=O)C)(CC2)C)(CC1)C)(C)C)C(=O)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing Methyl 3b-hydroxy-13(18)-oleanen-28-oate (CHEBI:172725) is a triterpenoid (CHEBI:36615)
IUPAC Name
methyl 10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14-tetradecahydropicene-4a-carboxylate
Manual Xrefs Databases
35013892 ChemSpider
HMDB0035267 HMDB
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