Oleacein (CHEBI:175090)

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ChEBI Ontology

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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	Oleacein

ChEBI ID	CHEBI:175090

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C17H20O6

Net Charge

Average Mass

320.341

Monoisotopic Mass

320.12599

InChI

InChI=1S/C17H20O6/c1-2-13(11-19)14(5-7-18)10-17(22)23-8-6-12-3-4-15(20)16(21)9-12/h2-4,7,9,11,14,20-21H,5-6,8,10H2,1H3/b13-2+

InChIKey

XLPXUPOZUYGVPD-XNJYKOPJSA-N

SMILES

O(C(=O)CC(CC=O)/C(=C/C)/C=O)CCC1=CC(O)=C(O)C=C1

ChEBI Ontology
Outgoing	Oleacein (CHEBI:175090) is a alcohol (CHEBI:30879) Oleacein (CHEBI:175090) is a phenols (CHEBI:33853)

IUPAC Name

2-(3,4-dihydroxyphenyl)ethyl (Z)-4-ormyl-3-(2-oxoethyl)hex-4-enoate