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CHEBI:3872 - Copalliferol B

ChEBI IDCHEBI:3872
ChEBI NameCopalliferol B
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC42H32O9
Net Charge0
Average Mass680.709
Monoisotopic Mass680.20463
SMILES[H][C@]12C(c3ccc(O)cc3)=C(c3cc(O)cc(O)c3)[C@H](c3ccc(O)cc3)c3c(O)cc(O)cc3[C@]1([H])[C@H](c1ccc(O)cc1)c1c(O)cc(O)cc12
InChIInChI=1S/C42H32O9/c43-24-7-1-20(2-8-24)35-38(23-13-27(46)15-28(47)14-23)36(21-3-9-25(44)10-4-21)41-32-17-30(49)19-34(51)40(32)37(22-5-11-26(45)12-6-22)42(41)31-16-29(48)18-33(50)39(31)35/h1-19,35,37,41-51H/t35-,37+,41-,42+/m0/s1
InChIKeyWJBCPQVBWGTJNA-GUOLYAGMSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
Copalliferol B (CHEBI:3872) is a diarylheptanoid (CHEBI:78802)
Synonym  Source
Copalliferol BKEGG COMPOUND
Manual XrefsDatabases
C10252KEGG COMPOUND
C00002876KNApSAcK
Registry NumbersSources
CAS:104380-52-1KEGG COMPOUND