EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:204135 - Phellibaumin B

ChEBI IDCHEBI:204135
ChEBI NamePhellibaumin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H16O9
Net Charge0
Average Mass424.361
Monoisotopic Mass424.07943
SMILESO=C(O)C[C@@H]1Oc2cc(/C=C/c3ccc(O)c(O)c3)oc(=O)c2-c2cc(O)c(O)cc21
InChIInChI=1S/C22H16O9/c23-14-4-2-10(5-15(14)24)1-3-11-6-19-21(22(29)30-11)13-8-17(26)16(25)7-12(13)18(31-19)9-20(27)28/h1-8,18,23-26H,9H2,(H,27,28)/b3-1+/t18-/m0/s1
InChIKeyZWCIXZKNLVQESJ-FVIAUOKHSA-N
Species of MetaboliteComponentSourceComments
Sanghuangporus baumii (ncbitaxon:108892) - PubMed (21531558)
ChEBI Ontology
Outgoing Relation(s)
Phellibaumin B (CHEBI:204135) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
2-[3-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-8,9-dihydroxy-1-oxo-6H-pyrano[4,3-c]isochromen-6-yl]acetic acid
Manual XrefsDatabases
26339639ChemSpider