input word = C00064239

Metabolite InformationStructural formula
Name Amurensin F
Formula C70H50O15
Mw 1130.31497093
CAS RN 265652-98-0
C_ID C00064239
InChIKey ASYHLFZNCVCHKG-UGVLPTFBSA-N
InChICode InChI=1S/C70H50O15/c71-42-11-3-35(4-12-42)60-64-53(65-59(33-58(64)85-70(60)41-26-50(79)30-51(80)27-41)84-67(36-5-13-43(72)14-6-36)61(65)39-22-46(75)28-47(76)23-39)19-1-34-2-20-56-54(21-34)63(69(82-56)38-9-17-45(74)18-10-38)55-31-52(81)32-57-66(55)62(40-24-48(77)29-49(78)25-40)68(83-57)37-7-15-44(73)16-8-37/h1-33,61-63,67-69,71-81H/b19-1+/t61-,62-,63-,67+,68+,69-/m0/s1
SMILES Oc1ccc(-c2c(-c3cc(O)cc(O)c3)oc3cc4c(c(C=Cc5ccc6c(c5)C(c5cc(O)cc7c5C(c5cc(O)cc(O)c5)C(c5ccc(O)cc5)O7)C(c5ccc(O)cc5)O6)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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