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CHEBI:212055 - Phellibaumin C

ChEBI IDCHEBI:212055
ChEBI NamePhellibaumin C
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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/C(=C/c1ccc(O)c(O)c1)c1cc2oc(=O)c3cc(O)c(O)cc3c2c(=O)o1
InChIInChI=1S/C33H20O13/c34-20-5-2-14(8-22(20)36)1-4-16-10-26(40)29(32(42)44-16)19(7-15-3-6-21(35)23(37)9-15)27-13-28-30(33(43)45-27)17-11-24(38)25(39)12-18(17)31(41)46-28/h1-13,34-40H/b4-1+,19-7+
InChIKeyCZNFRXIZUQPRDG-CTOXAEOWSA-N
Species of MetaboliteComponentSourceComments
Sanghuangporus baumii (ncbitaxon:108892) - PubMed (21531558)
ChEBI Ontology
Outgoing Relation(s)
Phellibaumin C (CHEBI:212055) is a isocoumarins (CHEBI:38758)
IUPAC Name 
3-[(Z)-2-(3,4-dihydroxyphenyl)-1-[6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-oxopyran-3-yl]ethenyl]-8,9-dihydroxypyrano[4,3-c]isochromene-1,6-dione
Manual XrefsDatabases
26338085ChemSpider