input word = C00040724

Metabolite InformationStructural formula
Name Zanhasaponin A
(-)-Zanhasaponin A
Formula C48H74O21
Mw 986.47225943
CAS RN 186464-74-4
C_ID C00040724 ,
InChIKey FOVJATQXFPGIBQ-WRWUXMRNNA-N
InChICode InChI=1S/C48H74O21/c1-18-26(51)28(53)32(57)38(64-18)67-35-30(55)27(52)19(2)65-40(35)69-42(63)48-14-13-43(3,4)15-21(48)20-9-10-23-44(5)16-22(49)36(68-39-33(58)29(54)31(56)34(66-39)37(59)60)47(8,41(61)62)24(44)11-12-45(23,6)46(20,7)17-25(48)50/h9,18-19,21-36,38-40,49-58H,10-17H2,1-8H3,(H,59,60)(H,61,62)/t18-,19?,21-,22-,23+,24+,25+,26-,27-,28+,29-,30+,31-,32+,33+,34-,35+,36-,38-,39-,40+,44+,45+,46+,47-,48+/m0/s1
SMILES C1[C@@H]2[C@](CCC1(C)C)([C@@H](C[C@@]1(C2=CC[C@H]2[C@]1(CC[C@@H]1[C@@]2(C[C@@H]([C@@H]([C@@]1(C)C(=O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)O)O)C)C)C)O)C(=O)O[C@H]1O[C@H]([C@@H]([C@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapindaceaeZanha africana Ref.
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