input word = C00060976

Metabolite InformationStructural formula
Name (3beta,4alpha)-3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->3)-O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-alpha-L-arabinopyranosyl)oxy]-23-hydroxy-olean-12-en-28-oic acid
Formula C47H76O16
Mw 896.51333638
CAS RN 2361041-00-9
C_ID C00060976
InChIKey JSDOSZSXIGCQMO-HYXRMSDTSA-N
InChICode InChI=1S/C47H76O16/c1-22-30(50)33(53)34(54)38(59-22)62-36-31(51)23(2)60-39(35(36)55)63-37-32(52)26(49)20-58-40(37)61-29-12-13-43(5)27(44(29,6)21-48)11-14-46(8)28(43)10-9-24-25-19-42(3,4)15-17-47(25,41(56)57)18-16-45(24,46)7/h9,22-23,25-40,48-55H,10-21H2,1-8H3,(H,56,57)/t22-,23-,25-,26-,27+,28+,29-,30-,31-,32-,33+,34+,35+,36+,37+,38-,39-,40-,43-,44-,45+,46+,47-/m0/s1
SMILES CC1OC(OC2C(O)C(C)OC(OC3C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CCC7(C(=O)O)CCC56C)C4(C)CO)OCC(O)C3O)C2O)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapindaceaeSapindus mukorossi Ref.
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