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 COc1cc(/C=C/C(=O)OC[C@H]2O[C@H](O[C@]3(COC(=O)/C=C/c4ccc(O)c(OC)c4)O[C@H](COC(=O)/C=C/c4ccc(O)cc4)[C@@H](O)[C@@H]3OC(=O)/C=C/c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaePolygonum cuspidatum Ref.
PlantaePolygonaceaePolygonum lapathifolium Ref.
PlantaePolygonaceaePolygonum sachalinensis Ref.
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