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CHEBI:222480 - Phellibaumin E

ChEBI IDCHEBI:222480
ChEBI NamePhellibaumin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H20O9
Net Charge0
Average Mass452.415
Monoisotopic Mass452.11073
SMILESCCOC(=O)/C(=C\c1ccc(O)c(O)c1)c1c(O)cc(/C=C/c2ccc(O)c(O)c2)oc1=O
InChIInChI=1S/C24H20O9/c1-2-32-23(30)16(9-14-5-8-18(26)20(28)11-14)22-21(29)12-15(33-24(22)31)6-3-13-4-7-17(25)19(27)10-13/h3-12,25-29H,2H2,1H3/b6-3+,16-9-
InChIKeyILJIUGHJNCYQIT-PGODXZJGSA-N
Species of MetaboliteComponentSourceComments
Sanghuangporus baumii (ncbitaxon:108892) - PubMed (21531558)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Phellibaumin E (CHEBI:222480) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name 
ethyl (Z)-3-(3,4-dihydroxyphenyl)-2-[6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-oxopyran-3-yl]prop-2-enoate
Manual XrefsDatabases
26336888ChemSpider