input word = C00037980

Metabolite InformationStructural formula
Name Vaticanol A
Formula C42H32O9
Mw 680.20463262
CAS RN 287101-82-0
C_ID C00037980 ,
InChIKey MBGBQHRAJPLAPN-RJPPMVDKNA-N
InChICode InChI=1S/C42H32O9/c43-23-7-1-19(2-8-23)33-35(22-13-26(46)15-27(47)14-22)38-31(50)18-32-39-37(42(51-32)21-5-11-25(45)12-6-21)29-16-28(48)17-30(49)36(29)34(40(33)41(38)39)20-3-9-24(44)10-4-20/h1-18,33-35,37,40,42-50H/t33-,34+,35+,37+,40-,42-/m0/s1
SMILES c1c(c2c3c4c1O[C@H]([C@@H]4c1c([C@H]([C@@H]3[C@H]([C@H]2c2cc(cc(c2)O)O)c2ccc(cc2)O)c2ccc(cc2)O)c(cc(c1)O)O)c1ccc(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDipterocarpaceaeVatica rassak Ref.
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