input word = C00046077

Metabolite InformationStructural formula
Name Lapathoside C
(+)-Lapathoside C
Formula C40H42O18
Mw 810.23711454
CAS RN 373646-83-4
C_ID C00046077 ,
InChIKey WYNKDHNSWBVRAM-DLDSQKGCNA-N
InChICode InChI=1S/C40H42O18/c1-52-28-18-24(6-14-27(28)44)9-16-32(46)53-19-29-34(48)36(50)37(51)39(55-29)58-40(21-41)38(56-33(47)17-8-23-4-12-26(43)13-5-23)35(49)30(57-40)20-54-31(45)15-7-22-2-10-25(42)11-3-22/h2-18,29-30,34-39,41-44,48-51H,19-21H2,1H3/b15-7+,16-9+,17-8+/t29-,30-,34-,35-,36+,37-,38+,39-,40+/m1/s1
SMILES c1cc(ccc1/C=C/C(=O)OC[C@@H]1[C@H]([C@@H]([C@@](O1)(O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)COC(=O)/C=C/c1cc(c(cc1)O)OC)CO)OC(=O)/C=C/c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaePolygonum lapathifolium Ref.
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OrganismPolygonum lapathifolium
ReferenceTakasaki,J.Nat.Prod.,64,(2001),1305