Mangiferdesmethylursanone (CHEBI:190150)

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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	Mangiferdesmethylursanone

ChEBI ID	CHEBI:190150

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C29H48O2

Net Charge

Average Mass

428.701

Monoisotopic Mass

428.36543

InChI

InChI=1S/C29H48O2/c1-18-20(30)10-13-26(4)16-17-28(6)19(24(18)26)8-9-22-27(5)14-12-23(31)25(2,3)21(27)11-15-29(22,28)7/h18-22,24,30H,8-17H2,1-7H3

InChIKey

KUBDEHGZXKPATK-UHFFFAOYSA-N

SMILES

OC1C(C2C3C(C4(C(C5(C(CC4)C(C(=O)CC5)(C)C)C)CC3)C)(CCC2(CC1)C)C)C

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in Serum (BTO:0000133). See: MetaboLights Study

ChEBI Ontology
Outgoing	Mangiferdesmethylursanone (CHEBI:190150) is a organic hydroxy compound (CHEBI:33822)

IUPAC Name

11-hydroxy-4,4,6a,6b,8a,12,14b-heptamethyl-1,2,4a,5,6,6a,7,8,9,10,11,12,12a,13,14,14a-hexadecahydropicen-3-one