Monic acid (CHEBI:197047)

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CHEBI:197047 - Monic acid

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ChEBI ID	CHEBI:197047
ChEBI Name	Monic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C17H28O7
Net Charge	0
Average Mass	344.404
Monoisotopic Mass	344.18350
SMILES	C/C(=C\C(=O)O)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O
InChI	InChI=1S/C17H28O7/c1-8(5-14(19)20)4-12-16(22)15(21)11(7-23-12)6-13-17(24-13)9(2)10(3)18/h5,9-13,15-18,21-22H,4,6-7H2,1-3H3,(H,19,20)/b8-5+/t9-,10-,11-,12-,13-,15+,16-,17-/m0/s1
InChIKey	IUBMRJVNZLQSHU-FDJBSCRHSA-N

Species of Metabolite	Component	Source	Comments
Cannabis sativa (ncbitaxon:3483)	inflorescence (BTO:0000628)	MetaboLights (MTBLS6032)	Strain: Cannabis sativa var. DMG265

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Monic acid (CHEBI:197047) is a epoxy fatty acid (CHEBI:61498)

IUPAC Name
(E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methylbut-2-enoic acid

Manual Xrefs	Databases
8422393	ChemSpider