(E)-7-deoxy-7,8-didehydro-12-acetoxy-sydonic acid (CHEBI:228058)

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CHEBI:228058 - (E)-7-deoxy-7,8-didehydro-12-acetoxy-sydonic acid

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ChEBI ID	CHEBI:228058
ChEBI Name	(E)-7-deoxy-7,8-didehydro-12-acetoxy-sydonic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C17H22O5
Net Charge	0
Average Mass	306.358
Monoisotopic Mass	306.14672
SMILES	CC(=O)OC[C@@H](C)CC/C=C(\C)c1ccc(C(=O)O)cc1O
InChI	InChI=1S/C17H22O5/c1-11(10-22-13(3)18)5-4-6-12(2)15-8-7-14(17(20)21)9-16(15)19/h6-9,11,19H,4-5,10H2,1-3H3,(H,20,21)/b12-6+/t11-/m0/s1
InChIKey	PDKRBLNMQWASDJ-DREKTBMASA-N

Species of Metabolite	Component	Source	Comments
Aspergillus versicolor (ncbitaxon:46472)	-	DOI (10.1016/j.phytol.2019.04.023)

ChEBI Ontology

Outgoing Relation(s)
	(E)-7-deoxy-7,8-didehydro-12-acetoxy-sydonic acid (CHEBI:228058) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name
4-[(E)-7-acetyloxy-6-methylhept-2-en-2-yl]-3-hydroxybenzoic acid

Manual Xrefs	Databases
78429122	ChemSpider