3-[(1'E,3'E)-1′,3'-heptadienyl]-6,8-dihydroxy-1',3'-dienylisocoumarin (CHEBI:223744)

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CHEBI:223744 - 3-[(1'E,3'E)-1′,3'-heptadienyl]-6,8-dihydroxy-1',3'-dienylisocoumarin

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ChEBI ID	CHEBI:223744
ChEBI Name	3-[(1'E,3'E)-1′,3'-heptadienyl]-6,8-dihydroxy-1',3'-dienylisocoumarin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C16H18O4
Net Charge	0
Average Mass	274.316
Monoisotopic Mass	274.12051
SMILES	CCC/C=C/C=C/[C@@H]1Cc2cc(O)cc(O)c2C(=O)O1
InChI	InChI=1S/C16H18O4/c1-2-3-4-5-6-7-13-9-11-8-12(17)10-14(18)15(11)16(19)20-13/h4-8,10,13,17-18H,2-3,9H2,1H3/b5-4+,7-6+/t13-/m1/s1
InChIKey	NWSIBKOHHNLGBR-FCTYEHLBSA-N

Species of Metabolite	Component	Source	Comments
Aspergillusspecies (ncbitaxon:5065)	-	PubMed (31012585)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	3-[(1'E,3'E)-1′,3'-heptadienyl]-6,8-dihydroxy-1',3'-dienylisocoumarin (CHEBI:223744) is a hydroxybenzoic acid (CHEBI:24676)

IUPAC Name
3-[(1E,3E)-hepta-1,3-dienyl]-6,8-dihydroxy-3,4-dihydroisochromen-1-one

Manual Xrefs	Databases
74832050	ChemSpider