input word = C00036718

Metabolite InformationStructural formula
Name Amurensin J
(-)-Amurensin J
Formula C56H42O12
Mw 906.26762681
CAS RN 389059-68-1
C_ID C00036718 ,
InChIKey GLQOGVYZTTVYKZ-GYPRAKJCNA-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-/m0/s1
SMILES [C@H]1([C@@H](Oc2c1c(c1c(c2)O[C@@H]([C@H]1c1cc(cc(c1)O)O)c1ccc(cc1)O)/C=C/c1ccc(cc1)O)c1ccc(cc1)O)c1cc(cc2c1[C@@H]([C@H](O2)c1ccc(cc1)O)c1cc(cc(c1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVitaceaeVitis amurensis (Rupr.) Ref.
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OrganismVitis amurensis (Rupr.)
ReferenceHuang,Phytochem.,58,(2001),357