CHEBI:214095 - Methyldavallialactone

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ChEBI Name Methyldavallialactone
ChEBI ID CHEBI:214095
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H22O9
Net Charge 0
Average Mass 478.453
Monoisotopic Mass 478.12638
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
SMILES O=C1OC(=CC(=C1[C@H]2C(=O)C=C(C)O[C@@H]2C3=CC(O)=C(O)C=C3)O)/C=C/C4=CC(OC)=C(O)C=C4
Metabolite of Species Details
Phellinus xeranticus (NCBI:txid1143127) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
23269610 ChemSpider
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