input word = C00036721

Metabolite InformationStructural formula
Name Amurensin M
(-)-Amurensin M
Formula C56H38O12
Mw 902.23632668
CAS RN 389059-69-2
C_ID C00036721 ,
InChIKey GSRFIFJPVFIFMU-FACPPWRESA-N
InChICode InChI=1S/C56H38O12/c57-37-13-3-29(4-14-37)1-7-33-25-45(65)51(55-47(33)49(35-21-41(61)27-42(62)22-35)53(67-55)31-9-17-39(59)18-10-31)52-46(66)26-34(8-2-30-5-15-38(58)16-6-30)48-50(36-23-43(63)28-44(64)24-36)54(68-56(48)52)32-11-19-40(60)20-12-32/h1-28,57-66H/b7-1+,8-2+
SMILES c12c(c(c(cc1/C=C/c1ccc(cc1)O)O)c1c3c(c(/C=C/c4ccc(cc4)O)cc1O)c(c(o3)c1ccc(cc1)O)c1cc(cc(c1)O)O)oc(c2c1cc(cc(c1)O)O)c1ccc(cc1)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