input word = C00062991

Metabolite InformationStructural formula
Name (3beta,13alpha,14beta,17alpha,20S,21S,23R)-3-[(O-alpha-L-Arabinopyranosyl-(1->3)-O-[6-deoxy-alpha-L-mannopyranosyl-(1->2)]-beta-D-glucopyranosyl)oxy]-21,23-epoxy-21-ethoxy-lanosta-7,24-dien-11-one
Formula C49H78O17
Mw 938.52390107
CAS RN 780038-68-8
C_ID C00062991
InChIKey AXORFVWZZSFGHX-WDQOPSONSA-N
InChICode InChI=1S/C49H78O17/c1-10-59-42-25(18-24(62-42)17-22(2)3)26-13-16-48(8)27-11-12-31-46(5,6)32(14-15-47(31,7)33(27)28(51)19-49(26,48)9)64-45-41(66-44-39(58)37(56)34(53)23(4)61-44)40(36(55)30(20-50)63-45)65-43-38(57)35(54)29(52)21-60-43/h11,17,23-26,29-45,50,52-58H,10,12-16,18-21H2,1-9H3/t23-,24-,25-,26-,29-,30+,31-,32-,33+,34-,35-,36+,37+,38+,39+,40-,41+,42-,43-,44-,45-,47-,48+,49-/m0/s1
SMILES CCOC1OC(C=C(C)C)CC1C1CCC2(C)C3=CCC4C(C)(C)C(OC5OC(CO)C(O)C(OC6OCC(O)C(O)C6O)C5OC5OC(C)C(O)C(O)C5O)CCC4(C)C3C(=O)CC12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapindaceaeSapindus mukorossi Ref.
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