input word = C00060314

Metabolite InformationStructural formula
Name (3beta,4alpha)-3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->2)-O-[beta-D-xylopyranosyl-(1->3)]-alpha-L-arabinopyranosyl)oxy]-23-hydroxyolean-12-en-28-oic acid
Formula C46H74O16
Mw 882.49768632
CAS RN 170032-86-7
C_ID C00060314
InChIKey SRDUPQHIHLKHRT-XDZHPPTOSA-N
InChICode InChI=1S/C46H74O16/c1-22-30(50)32(52)34(54)38(59-22)62-36-35(61-37-33(53)31(51)25(48)19-57-37)26(49)20-58-39(36)60-29-11-12-42(4)27(43(29,5)21-47)10-13-45(7)28(42)9-8-23-24-18-41(2,3)14-16-46(24,40(55)56)17-15-44(23,45)6/h8,22,24-39,47-54H,9-21H2,1-7H3,(H,55,56)/t22-,24-,25+,26-,27+,28+,29-,30-,31-,32+,33+,34+,35-,36+,37-,38-,39-,42-,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)CO)OCC(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapindaceaeSapindus mukorossi Ref.
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OrganismSapindus mukorossi
Referencehttps://doi.org/10.1248/cpb.55.1412