input word = C00060980

Metabolite InformationStructural formula
Name (3beta)-3-[(O-4-O-Acetyl-alpha-L-arabinopyranosyl-(1->3)-O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-alpha-L-arabinopyranosyl)oxy]-olean-12-en-28-oic acid
Formula C48H76O16
Mw 908.51333638
CAS RN 2361041-04-3
C_ID C00060980
InChIKey CDGYEEPSTVXAQO-ZALSMTFZSA-N
InChICode InChI=1S/C48H76O16/c1-23-32(51)37(63-39-35(54)34(53)28(22-59-39)61-24(2)49)36(55)40(60-23)64-38-33(52)27(50)21-58-41(38)62-31-13-14-45(7)29(44(31,5)6)12-15-47(9)30(45)11-10-25-26-20-43(3,4)16-18-48(26,42(56)57)19-17-46(25,47)8/h10,23,26-41,50-55H,11-22H2,1-9H3,(H,56,57)/t23-,26-,27-,28-,29-,30+,31-,32-,33-,34-,35+,36+,37+,38+,39-,40-,41-,45-,46+,47+,48-/m0/s1
SMILES CC(=O)OC1COC(OC2C(O)C(C)OC(OC3C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CCC7(C(=O)O)CCC56C)C4(C)C)OCC(O)C3O)C2O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapindaceaeSapindus mukorossi Ref.
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