Acremonone H (CHEBI:223601)

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CHEBI:223601 - Acremonone H

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ChEBI ID	CHEBI:223601
ChEBI Name	Acremonone H
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H26O10
Net Charge	0
Average Mass	426.418
Monoisotopic Mass	426.15260
SMILES	COc1cc(O)c2c(=O)oc(CO[C@@H]3O[C@H](CO)[C@@H](OC)[C@H](O)[C@H]3O)c(C)c2c1C
InChI	InChI=1S/C20H26O10/c1-8-11(26-3)5-10(22)15-14(8)9(2)13(29-19(15)25)7-28-20-17(24)16(23)18(27-4)12(6-21)30-20/h5,12,16-18,20-24H,6-7H2,1-4H3/t12-,16-,17-,18-,20-/m1/s1
InChIKey	JAEYXNKBZLRCIQ-DZJMNOSQSA-N

Species of Metabolite	Component	Source	Comments
Acremonium (ncbitaxon:159075)	-	PubMed (22524636)

ChEBI Ontology

Outgoing Relation(s)
	Acremonone H (CHEBI:223601) is a isocoumarins (CHEBI:38758)

IUPAC Name
3-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxymethyl]-8-hydroxy-6-methoxy-4,5-dimethylisochromen-1-one

Manual Xrefs	Databases
78437727	ChemSpider