input word = C00032873

Metabolite InformationStructural formula
Name Cussosaponin B
(-)-Cussosaponin B
Formula C59H96O26
Mw 1220.61898324
CAS RN 475598-90-4
C_ID C00032873 ,
InChIKey RMOBDYRGSZYYQB-UISXWVDKNA-N
InChICode InChI=1S/C59H96O26/c1-23(2)25-11-16-59(54(75)85-52-45(73)41(69)38(66)30(81-52)22-77-49-46(74)42(70)47(29(20-61)80-49)83-50-43(71)39(67)35(63)24(3)78-50)18-17-57(7)26(34(25)59)9-10-32-56(6)14-13-33(55(4,5)31(56)12-15-58(32,57)8)82-53-48(36(64)27(62)21-76-53)84-51-44(72)40(68)37(65)28(19-60)79-51/h24-53,60-74H,1,9-22H2,2-8H3/t24-,25-,26+,27-,28+,29+,30+,31-,32+,33-,34-,35-,36-,37-,38+,39+,40-,41-,42-,43+,44+,45+,46+,47+,48+,49+,50-,51-,52-,53-,56-,57+,58+,59-/m0/s1
SMILES [C@@]12([C@H]([C@@H]3[C@@](CC1)([C@]1([C@H](CC3)[C@@]3([C@@H](CC1)C([C@H](CC3)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O)(C)C)C)C)C)[C@@H](CC2)C(=C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeCussonia racemosa BAKER Ref.
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OrganismCussonia racemosa BAKER
ReferenceHarinantenaina,Chem.Pharm.Bull.,50,(2002),1290