CHEBI:3872 - Copalliferol B

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ChEBI Name Copalliferol B
ChEBI ID CHEBI:3872
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C42H32O9
Net Charge 0
Average Mass 680.700
Monoisotopic Mass 680.20463
InChI InChI=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
InChIKey WJBCPQVBWGTJNA-GUOLYAGMSA-N
SMILES Oc1ccc(cc1)[C@H]1[C@@H]2[C@@H](c3cc(O)cc(O)c13)C(c1ccc(O)cc1)=C([C@H](c1ccc(O)cc1)c1c(O)cc(O)cc21)c1cc(O)cc(O)c1
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via diarylheptanoid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Copalliferol B (CHEBI:3872) is a diarylheptanoid (CHEBI:78802)
Synonym Source
Copalliferol B KEGG COMPOUND
Manual Xrefs Databases
C00002876 KNApSAcK
C10252 KEGG COMPOUND
View more database links
Registry Number Type Source
104380-52-1 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014