input word = C00046076

Metabolite InformationStructural formula
Name Lapathoside B
(+)-Lapathoside B
Formula C51H52O22
Mw 1016.29502335
CAS RN 373646-64-1
C_ID C00046076 ,
InChIKey IZEAEHCVLNYCTN-MRPCEZDPNA-N
InChICode InChI=1S/C51H52O22/c1-64-36-22-29(6-15-33(36)53)10-18-41(56)67-25-39-45(60)47(62)48(63)50(70-39)73-51(27-69-43(58)20-12-31-8-17-35(55)38(24-31)66-3)49(71-44(59)21-9-28-4-13-32(52)14-5-28)46(61)40(72-51)26-68-42(57)19-11-30-7-16-34(54)37(23-30)65-2/h4-24,39-40,45-50,52-55,60-63H,25-27H2,1-3H3/b18-10+,19-11+,20-12+,21-9+/t39-,40-,45+,46-,47+,48-,49+,50-,51+/m1/s1
SMILES c1cc(c(cc1/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)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaePolygonum lapathifolium Ref.
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