Methyldavallialactone (CHEBI:214095)

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CHEBI:214095 - Methyldavallialactone

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ChEBI ID	CHEBI:214095
ChEBI Name	Methyldavallialactone
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C26H22O9
Net Charge	0
Average Mass	478.453
Monoisotopic Mass	478.12638
SMILES	COc1cc(/C=C/c2cc(O)c([C@H]3C(=O)C=C(C)O[C@@H]3c3ccc(O)c(O)c3)c(=O)o2)ccc1O
InChI	InChI=1S/C26H22O9/c1-13-9-20(30)23(25(34-13)15-5-8-17(27)19(29)11-15)24-21(31)12-16(35-26(24)32)6-3-14-4-7-18(28)22(10-14)33-2/h3-12,23,25,27-29,31H,1-2H3/b6-3+/t23-,25-/m1/s1
InChIKey	LDTVSIZNVSZWDV-DSJLGJJVSA-N

Species of Metabolite	Component	Source	Comments
Phellinus xeranticus (ncbitaxon:1143127)	-	PubMed (16488146)

ChEBI Ontology

Outgoing Relation(s)
	Methyldavallialactone (CHEBI:214095) is a methoxybenzenes (CHEBI:51683)
	Methyldavallialactone (CHEBI:214095) is a phenols (CHEBI:33853)

IUPAC Name
3-[(2S,3R)-2-(3,4-dihydroxyphenyl)-6-methyl-4-oxo-2,3-dihydropyran-3-yl]-4-hydroxy-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyran-2-one

Manual Xrefs	Databases
23269610	ChemSpider