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CHEBI:209384 - Phelligridin I

ChEBI IDCHEBI:209384
ChEBI NamePhelligridin I
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SubmitterMetaboLights
DownloadsMolfile
FormulaC33H20O13
Net Charge0
Average Mass624.510
Monoisotopic Mass624.09039
SMILESO=c1oc(/C=C/c2ccc(O)c(O)c2)cc(O)c1-c1cc(O)c(O)cc1/C=C/c1cc2oc(=O)c3cc(O)c(O)cc3c2c(=O)o1
InChIInChI=1S/C33H20O13/c34-21-6-2-14(7-22(21)35)1-4-16-9-27(40)29(32(42)44-16)18-11-24(37)23(36)8-15(18)3-5-17-10-28-30(33(43)45-17)19-12-25(38)26(39)13-20(19)31(41)46-28/h1-13,34-40H/b4-1+,5-3+
InChIKeyZNLSHKJBXWCRKW-CLLRDSTBSA-N
Species of MetaboliteComponentSourceComments
Phellinus igniarius (ncbitaxon:40472) - PubMed (17279797)
ChEBI Ontology
Outgoing Relation(s)
Phelligridin I (CHEBI:209384) is a isocoumarins (CHEBI:38758)
IUPAC Name 
3-[(E)-2-[2-[6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-oxopyran-3-yl]-4,5-dihydroxyphenyl]ethenyl]-8,9-dihydroxypyrano[4,3-c]isochromene-1,6-dione
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