(7S,11S)-7,12-epoxysydonic acid (CHEBI:217772)

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CHEBI:217772 - (7S,11S)-7,12-epoxysydonic acid

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ChEBI ID	CHEBI:217772
ChEBI Name	(7S,11S)-7,12-epoxysydonic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C15H20O4
Net Charge	0
Average Mass	264.321
Monoisotopic Mass	264.13616
SMILES	C[C@H]1CCC[C@@](C)(c2ccc(C(=O)O)cc2O)OC1
InChI	InChI=1S/C15H20O4/c1-10-4-3-7-15(2,19-9-10)12-6-5-11(14(17)18)8-13(12)16/h5-6,8,10,16H,3-4,7,9H2,1-2H3,(H,17,18)/t10-,15-/m0/s1
InChIKey	ZOBROXLCZDPOMC-BONVTDFDSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus (ncbitaxon:5052)	-	PubMed (29544761)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	(7S,11S)-7,12-epoxysydonic acid (CHEBI:217772) is a hydroxybenzoic acid (CHEBI:24676)

IUPAC Name
4-[(2S,6S)-2,6-dimethyloxepan-2-yl]-3-hydroxybenzoic acid

Manual Xrefs	Databases
71048938	ChemSpider