(3beta,6beta)-Furanoeremophilane-3,6-diol 6-acetate (CHEBI:168723)

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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	(3beta,6beta)-Furanoeremophilane-3,6-diol 6-acetate

ChEBI ID	CHEBI:168723

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C17H24O4

Net Charge

Average Mass

292.375

Monoisotopic Mass

292.16746

InChI

InChI=1S/C17H24O4/c1-9-8-20-14-7-12-5-6-13(19)10(2)17(12,4)16(15(9)14)21-11(3)18/h8,10,12-13,16,19H,5-7H2,1-4H3

InChIKey

CXZIQFLLAXJLDS-UHFFFAOYSA-N

SMILES

O(C1C2(C(CCC(O)C2C)CC=3OC=C(C13)C)C)C(=O)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	(3beta,6beta)-Furanoeremophilane-3,6-diol 6-acetate (CHEBI:168723) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name

(6-hydroxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[][1]benzouran-4-yl) acetate