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

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

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ChEBI ID	CHEBI:169478
ChEBI Name	11,13-dimethoxy-12-hydroxy-9-octadecenoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H38O5
Net Charge	0
Average Mass	358.519
Monoisotopic Mass	358.27192
SMILES	CCCCCC(OC)C(O)C(/C=C/CCCCCCCC(=O)O)OC
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

Species of Metabolite	Component	Source	Comments
Malus domestica (ncbitaxon:3750)	exocarp (BTO:0000733)	MetaboLights (MTBLS2384)	Strain: Malus x domestica Borkh. cv. Ruixue

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	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

Manual Xrefs	Databases
LMFA01080003	LIPID MAPS
4446150	ChemSpider