input word = C00064134

Metabolite InformationStructural formula
Name Flexuosol A
Formula C56H42O12
Mw 906.26762681
CAS RN 205440-11-5
C_ID C00064134
InChIKey GLQOGVYZTTVYKZ-NNJXGGENSA-N
InChICode InChI=1S/C56H42O12/c57-34-10-1-28(2-11-34)3-18-43-50-46(67-54(29-4-12-35(58)13-5-29)48(50)32-19-38(61)23-39(62)20-32)27-47-51(43)53(56(68-47)31-8-16-37(60)17-9-31)44-25-42(65)26-45-52(44)49(33-21-40(63)24-41(64)22-33)55(66-45)30-6-14-36(59)15-7-30/h1-27,48-49,53-65H/b18-3+/t48-,49-,53+,54+,55+,56-/m1/s1
SMILES Oc1ccc(C=Cc2c3c(cc4c2C(c2cc(O)cc5c2C(c2cc(O)cc(O)c2)C(c2ccc(O)cc2)O5)C(c2ccc(O)cc2)O4)OC(c2ccc(O)cc2)C3c2cc(O)cc(O)c2)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVitaceaeVitis flexuosa Ref.
PlantaeVitaceaeVitis wilsoniae Ref.
zoom in