input word = C00046075

Metabolite InformationStructural formula
Name Lapathoside A
(+)-Lapathoside A
Formula C50H50O21
Mw 986.28445866
CAS RN 373646-49-2
C_ID C00046075 ,
InChIKey CYVTUSSATYABLE-BOYVLZNDNA-N
InChICode InChI=1S/C50H50O21/c1-63-36-23-30(7-17-34(36)53)11-20-41(56)65-25-38-44(59)46(61)47(62)49(68-38)71-50(27-67-42(57)21-12-31-8-18-35(54)37(24-31)64-2)48(69-43(58)22-10-29-5-15-33(52)16-6-29)45(60)39(70-50)26-66-40(55)19-9-28-3-13-32(51)14-4-28/h3-24,38-39,44-49,51-54,59-62H,25-27H2,1-2H3/b19-9+,20-11+,21-12+,22-10+/t38-,39-,44+,45-,46+,47-,48+,49-,50+/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)COC(=O)/C=C/c1cc(c(cc1)O)OC)OC(=O)/C=C/c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaePolygonum cuspidatum Ref.
PlantaePolygonaceaePolygonum lapathifolium Ref.
PlantaePolygonaceaePolygonum sachalinensis Ref.
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