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.
PlantaePolygonaceaeRumex acetosa Ref.
PlantaePolygonaceaeRumex acetosella Ref.
PlantaePolygonaceaeRumex confertus Ref.
PlantaePolygonaceaeRumex crispus Ref.
PlantaePolygonaceaeRumex hydrolapathum Ref.
PlantaePolygonaceaeRumex obtusifolius Ref.
--Cathartic principle Ref.
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OrganismCassia senna
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter43