input word = C00057940

Metabolite InformationStructural formula
Name Tarasaponin III
Formula C46H74O16
Mw 882.49768632
CAS RN 156980-30-2
C_ID C00057940
InChIKey QISCHUABGXFSHX-LEBAIFSXSA-N
InChICode InChI=1S/C46H74O16/c1-41(2)14-16-46(40(55)56)17-15-44(6)22(23(46)18-41)8-9-28-43(5)12-11-29(42(3,4)27(43)10-13-45(28,44)7)60-39-36(62-37-33(53)30(50)24(48)20-57-37)35(25(49)21-58-39)61-38-34(54)32(52)31(51)26(19-47)59-38/h8,23-39,47-54H,9-21H2,1-7H3,(H,55,56)/t23-,24+,25-,26+,27-,28+,29-,30-,31+,32-,33+,34+,35-,36+,37-,38?,39-,43-,44+,45+,46-/m0/s1
SMILES CC(CC[C@]1(C(O)=O)CC[C@]23C)(C[C@@]1([H])C2=CC[C@]4([H])[C@]5(CC[C@H](O[C@H]6[C@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](O)CO7)[C@@H](OC8[C@H](O)[C@@H](O)[C@H](O)[C@H](O8)CO)[C@@H](O)CO6)C(C)([C@]5([H])CC[C@]43C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAralia elata Ref.
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