5-hydroxyl-6-O-methylasperentin (CHEBI:200724)

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CHEBI:200724 - 5-hydroxyl-6-O-methylasperentin

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ChEBI ID	CHEBI:200724
ChEBI Name	5-hydroxyl-6-O-methylasperentin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C17H22O6
Net Charge	0
Average Mass	322.357
Monoisotopic Mass	322.14164
SMILES	COc1cc(O)c2c(c1O)C[C@H](C[C@H]1CCC[C@H](C)O1)OC2=O
InChI	InChI=1S/C17H22O6/c1-9-4-3-5-10(22-9)6-11-7-12-15(17(20)23-11)13(18)8-14(21-2)16(12)19/h8-11,18-19H,3-7H2,1-2H3/t9-,10+,11-/m0/s1
InChIKey	UOABJMSKCCCLDH-AXFHLTTASA-N

Species of Metabolite	Component	Source	Comments
Aspergillus (ncbitaxon:5052)	-	PubMed (25517217)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	5-hydroxyl-6-O-methylasperentin (CHEBI:200724) is a hydroxybenzoic acid (CHEBI:24676)

IUPAC Name
(3R)-5,8-dihydroxy-6-methoxy-3-[[(2R,6S)-6-methyloxan-2-yl]methyl]-3,4-dihydroisochromen-1-one

Manual Xrefs	Databases
34981951	ChemSpider