input word = C00002876

Metabolite InformationStructural formula
Name Copalliferol B
Formula C42H32O9
Mw 680.20463262
CAS RN 104380-52-1
C_ID C00002876 ,
InChIKey WJBCPQVBWGTJNA-JCERQRAZNA-N
InChICode 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
SMILES C1(=C([C@H]2[C@H](c3c([C@H]1c1ccc(cc1)O)c(cc(c3)O)O)[C@@H](c1c2cc(cc1O)O)c1ccc(cc1)O)c1ccc(cc1)O)c1cc(cc(c1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDipterocarpaceaeVateria copallifera Ref.
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