input word = C00059010

Metabolite InformationStructural formula
Name Hishoushi saponin A
Formula C46H74O15
Mw 866.5027717
CAS RN 104494-26-0
C_ID C00059010
InChIKey QDYPTQWAAOGCJD-DOLMWLQLSA-N
InChICode InChI=1S/C46H74O15/c1-22-30(49)35(60-37-33(52)31(50)25(47)20-56-37)34(53)38(58-22)61-36-32(51)26(48)21-57-39(36)59-29-12-13-43(6)27(42(29,4)5)11-14-45(8)28(43)10-9-23-24-19-41(2,3)15-17-46(24,40(54)55)18-16-44(23,45)7/h9,22,24-39,47-53H,10-21H2,1-8H3,(H,54,55)/t22-,24-,25-,26-,27-,28+,29-,30-,31-,32-,33+,34+,35+,36+,37-,38-,39-,43-,44+,45+,46-/m0/s1
SMILES CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)O)CCC45C)C3(C)C)OCC(O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapindaceaeSapindus mukorossi Ref.
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