(+)-2-Sterpurene-6,12,15-triol (CHEBI:168094)

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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	(+)-2-Sterpurene-6,12,15-triol

ChEBI ID	CHEBI:168094

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H24O3

Net Charge

Average Mass

252.354

Monoisotopic Mass

252.17254

InChI

InChI=1S/C15H24O3/c1-13(9-17)5-10-6-14(2)3-4-15(14,18)12(8-16)11(10)7-13/h10,16-18H,3-9H2,1-2H3/t10-,13-,14-,15-/m0/s1

InChIKey

AWMMKZCBBAJJAU-HJPIBITLSA-N

SMILES

O[C@]12[C@](C[C@]3(C(=C1CO)C[C@](C3)(CO)C)[H])(CC2)C

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study

ChEBI Ontology
Outgoing	(+)-2-Sterpurene-6,12,15-triol (CHEBI:168094) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name

(3R,6S,8S,10S)-2,10-bis(hydroxymethyl)-6,10-dimethyltricyclo[6.3.0.03,6]undec-1-en-3-ol