Methyl 2-(10-heptadecenyl)-6-hydroxybenzoate (CHEBI:169431)

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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	Methyl 2-(10-heptadecenyl)-6-hydroxybenzoate

ChEBI ID	CHEBI:169431

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C25H40O3

Net Charge

Average Mass

388.592

Monoisotopic Mass

388.29775

InChI

InChI=1S/C25H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21-23(26)24(22)25(27)28-2/h8-9,18,20-21,26H,3-7,10-17,19H2,1-2H3/b9-8-

InChIKey

ASEOLGYFIXYYFV-HJWRWDBZSA-N

SMILES

OC=1C(=C(CCCCCCCCC/C=C\CCCCCC)C=CC1)C(OC)=O

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	Methyl 2-(10-heptadecenyl)-6-hydroxybenzoate (CHEBI:169431) has functional parent salicylic acid (CHEBI:16914) Methyl 2-(10-heptadecenyl)-6-hydroxybenzoate (CHEBI:169431) is a benzoate ester (CHEBI:36054) Methyl 2-(10-heptadecenyl)-6-hydroxybenzoate (CHEBI:169431) is a phenols (CHEBI:33853)

IUPAC Name

methyl 2-[(Z)-heptadec-10-enyl]-6-hydroxybenzoate