(3R)-5,6-dihydroxy-3-[(4S)-4-hydroxypentyl]-3,4-dihydroisochromen-1-one (CHEBI:205594)

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CHEBI:205594 - (3R)-5,6-dihydroxy-3-[(4S)-4-hydroxypentyl]-3,4-dihydroisochromen-1-one

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ChEBI ID	CHEBI:205594
ChEBI Name	(3R)-5,6-dihydroxy-3-[(4S)-4-hydroxypentyl]-3,4-dihydroisochromen-1-one
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C14H18O5
Net Charge	0
Average Mass	266.293
Monoisotopic Mass	266.11542
SMILES	C[C@H](O)CCC[C@@H]1Cc2c(ccc(O)c2O)C(=O)O1
InChI	InChI=1S/C14H18O5/c1-8(15)3-2-4-9-7-11-10(14(18)19-9)5-6-12(16)13(11)17/h5-6,8-9,15-17H,2-4,7H2,1H3/t8-,9+/m0/s1
InChIKey	NBFFCYBLWDXBRR-DTWKUNHWSA-N

Species of Metabolite	Component	Source	Comments
Talaromyces (ncbitaxon:5094)	-	DOI (10.1039/c6ra02566h)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	(3R)-5,6-dihydroxy-3-[(4S)-4-hydroxypentyl]-3,4-dihydroisochromen-1-one (CHEBI:205594) is a hydroxybenzoic acid (CHEBI:24676)

IUPAC Name
(3R)-5,6-dihydroxy-3-[(4S)-4-hydroxypentyl]-3,4-dihydroisochromen-1-one

Manual Xrefs	Databases
58196920	ChemSpider