input word = C00064236

Metabolite InformationStructural formula
Name Amurensin E
Formula C70H50O15
Mw 1130.31497093
CAS RN 265652-72-0
C_ID C00064236
InChIKey LSLDGPHKESSPOG-HLJNWPONSA-N
InChICode InChI=1S/C70H50O15/c71-40-11-3-34(4-12-40)59-52-28-48(79)30-55(82)63(52)67-66-53(29-49(80)31-56(66)83-69(67)37-9-17-43(74)18-10-37)62(59)51-21-33(2-20-54(51)81)1-19-50-64-57(85-70(39-24-46(77)27-47(78)25-39)60(64)35-5-13-41(72)14-6-35)32-58-65(50)61(38-22-44(75)26-45(76)23-38)68(84-58)36-7-15-42(73)16-8-36/h1-32,59,61-62,67-69,71-82H/b19-1+/t59-,61-,62-,67-,68+,69+/m0/s1
SMILES Oc1ccc(-c2c(-c3cc(O)cc(O)c3)oc3cc4c(c(C=Cc5ccc(O)c(C6c7cc(O)cc8c7C(c7c(O)cc(O)cc7C6c6ccc(O)cc6)C(c6ccc(O)cc6)O8)c5)c23)C(c2cc(O)cc(O)c2)C(c2ccc(O)cc2)O4)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVitaceaeVitis amurensis Ref.
PlantaeVitaceaeVitis davidii Ref.
PlantaeVitaceaeVitis thunbergii Ref.
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