Epicitreodiol (CHEBI:210896)

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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	Epicitreodiol

ChEBI ID	CHEBI:210896

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C11H18O4

Net Charge

Average Mass

214.261

Monoisotopic Mass

214.12051

InChI

InChI=1S/C11H18O4/c1-8(10(13)15-4)6-5-7-11(3,14)9(2)12/h5-7,9,12,14H,1-4H3/b7-5+,8-6+/t9-,11+/m0/s1

InChIKey

VRPFJYGFBAJGLE-FXKUYJBWSA-N

SMILES

O=C(OC)/C(=C/C=C/[C@@](O)([C@@H](O)C)C)/C

Metabolite of Species	Details
Penicillium (NCBI:txid5073)	See: DOI

ChEBI Ontology
Outgoing	Epicitreodiol (CHEBI:210896) is a aliphatic alcohol (CHEBI:2571)

IUPAC Name

methyl (2E,4E,6R,7S)-6,7-dihydroxy-2,6-dimethylocta-2,4-dienoate