input word = C00061637

Metabolite InformationStructural formula
Name (3beta,4alpha)-3-[(O-2-O-Acetyl-beta-D-xylopyranosyl-(1->3)-O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-alpha-L-arabinopyranosyl)oxy]-23-hydroxyolean-12-en-28-oic acid
Formula C48H76O17
Mw 924.508251
CAS RN 372104-50-2
C_ID C00061637
InChIKey CPDBVIKRVHDUKD-VAVQVUJFSA-N
InChICode InChI=1S/C48H76O17/c1-23-32(53)36(64-41-37(62-24(2)50)33(54)27(51)21-60-41)35(56)39(61-23)65-38-34(55)28(52)20-59-40(38)63-31-12-13-44(5)29(45(31,6)22-49)11-14-47(8)30(44)10-9-25-26-19-43(3,4)15-17-48(26,42(57)58)18-16-46(25,47)7/h9,23,26-41,49,51-56H,10-22H2,1-8H3,(H,57,58)/t23-,26-,27+,28-,29+,30+,31-,32-,33-,34-,35+,36+,37+,38+,39-,40-,41-,44-,45-,46+,47+,48-/m0/s1
SMILES CC(=O)OC1C(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)OCC(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapindaceaeSapindus mukorossi Ref.
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