input word = C00046893

Metabolite InformationStructural formula
Name Sandrosaponin VII
(+)-Sandrosaponin VII
Formula C48H78O19
Mw 958.51373031
CAS RN 303952-95-6
C_ID C00046893 ,
InChIKey CJWYMLSZAMZYPC-IYVZYYHENA-N
InChICode InChI=1S/C48H78O19/c1-22-30(54)37(66-39-35(59)33(57)31(55)23(17-49)63-39)38(67-40-36(60)34(58)32(56)24(18-50)64-40)41(62-22)65-29-9-10-43(3)25(44(29,4)20-52)7-11-45(5)26(43)8-12-48-27-15-42(2,19-51)13-14-47(27,21-61-48)28(53)16-46(45,48)6/h8,12,22-41,49-60H,7,9-11,13-21H2,1-6H3/t22-,23-,24-,25-,26-,27-,28+,29+,30+,31+,32+,33+,34+,35-,36-,37+,38-,39+,40+,41+,42-,43+,44+,45-,46+,47-,48?/m1/s1
SMILES [C@H]1([C@@H]([C@H]([C@@H](O[C@@H]1CO)O[C@H]1[C@@H](O)[C@H](O[C@H]([C@@H]1O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)O[C@H]1CC[C@]2([C@H]([C@]1(C)CO)CC[C@@]1([C@@H]2C=C[C@]23[C@]1(C[C@@H]([C@@]1([C@H]2C[C@](CC1)(C)CO)CO3)O)C)C)C)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeBupleurum rigidum Ref.
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OrganismBupleurum rigidum
ReferenceSanchez-Contreras,J.Nat.Prod.,63,(2000),1479