11,13-dimethoxy-12-hydroxy-9-octadecenoic acid (CHEBI:169478)

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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	11,13-dimethoxy-12-hydroxy-9-octadecenoic acid

ChEBI ID	CHEBI:169478

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H38O5

Net Charge

Average Mass

358.519

Monoisotopic Mass

358.27192

InChI

InChI=1S/C20H38O5/c1-4-5-11-14-17(24-2)20(23)18(25-3)15-12-9-7-6-8-10-13-16-19(21)22/h12,15,17-18,20,23H,4-11,13-14,16H2,1-3H3,(H,21,22)/b15-12+

InChIKey

MQWZCHDMBWJFTK-NTCAYCPXSA-N

SMILES

O(C(C(O)C(OC)/C=C/CCCCCCCC(O)=O)CCCCC)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

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	11,13-dimethoxy-12-hydroxy-9-octadecenoic acid (CHEBI:169478) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name

(E)-12-hydroxy-11,13-dimethoxyoctadec-9-enoic acid