(3S,4S)-4,5-dihydroxymellein (CHEBI:206802)

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CHEBI:206802 - (3S,4S)-4,5-dihydroxymellein

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ChEBI ID	CHEBI:206802
ChEBI Name	(3S,4S)-4,5-dihydroxymellein
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C10H10O5
Net Charge	0
Average Mass	210.185
Monoisotopic Mass	210.05282
SMILES	C[C@@H]1OC(=O)c2c(O)ccc(O)c2[C@@H]1O
InChI	InChI=1S/C10H10O5/c1-4-9(13)7-5(11)2-3-6(12)8(7)10(14)15-4/h2-4,9,11-13H,1H3/t4-,9+/m0/s1
InChIKey	UKOUEEGEHXWHHO-AJAUBTJJSA-N

Species of Metabolite	Component	Source	Comments
Paraconiothyrium (ncbitaxon:300251)	-	DOI (10.1016/j.phytol.2017.04.039)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	(3S,4S)-4,5-dihydroxymellein (CHEBI:206802) is a hydroxybenzoic acid (CHEBI:24676)

IUPAC Name
(3S,4S)-4,5,8-trihydroxy-3-methyl-3,4-dihydroisochromen-1-one

Manual Xrefs	Databases
63002582	ChemSpider