input word = C00062992

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-methoxy-lanosta-7,24-dien-11-one
Formula C48H76O17
Mw 924.508251
CAS RN 780038-70-2
C_ID C00062992
InChIKey UITQNDXQZORLQJ-JPYTZIHASA-N
InChICode InChI=1S/C48H76O17/c1-21(2)16-23-17-24(41(58-9)61-23)25-12-15-47(7)26-10-11-30-45(4,5)31(13-14-46(30,6)32(26)27(50)18-48(25,47)8)63-44-40(65-43-38(57)36(55)33(52)22(3)60-43)39(35(54)29(19-49)62-44)64-42-37(56)34(53)28(51)20-59-42/h10,16,22-25,28-44,49,51-57H,11-15,17-20H2,1-9H3/t22-,23-,24-,25-,28-,29+,30-,31-,32+,33-,34-,35+,36+,37+,38+,39-,40+,41-,42-,43-,44-,46-,47+,48-/m0/s1
SMILES COC1OC(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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