input word = C00002863

Metabolite InformationStructural formula
Name Sennoside A
Formula C42H38O20
Mw 862.19564366
CAS RN 81-27-6
C_ID C00002863 ,
InChIKey IPQVTOJGNYVQEO-SLRDRZARNA-N
InChICode InChI=1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58)/t23-,24-,25-,26-,31+,32+,35+,36+,37-,38-,41-,42-/m1/s1
SMILES c1ccc2c(c1O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C(=O)c1c([C@@H]2[C@@H]2c3c(c(ccc3)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)C(=O)c3c2cc(cc3O)C(=O)O)cc(cc1O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCassia acutifolia Ref.
PlantaeFabaceaeCassia angustifolia Ref.
PlantaeFabaceaeCassia senna Ref.
PlantaePolygonaceaeRheum officinale Ref.
PlantaePolygonaceaeRheum palmatum Ref.
PlantaePolygonaceaeRheum tanguticum Ref.
--Cathartic principle Ref.
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