input word = C00063875

Metabolite InformationStructural formula
Name Cloversaponin IV methyl ester
Formula C42H68O13
Mw 780.46599226
CAS RN 143519-29-3
C_ID C00063875
InChIKey MFPBTGNHUONJPE-GGTMZETESA-N
InChICode InChI=1S/C42H68O13/c1-37(2)17-22-21-9-10-25-39(4)13-12-27(40(5,20-43)24(39)11-14-42(25,7)41(21,6)16-15-38(22,3)26(45)18-37)53-36-33(30(48)29(47)32(54-36)34(50)51-8)55-35-31(49)28(46)23(44)19-52-35/h9,22-33,35-36,43-49H,10-20H2,1-8H3/t22-,23+,24+,25+,26+,27-,28-,29-,30-,31+,32-,33+,35-,36+,38+,39-,40+,41+,42+/m0/s1
SMILES COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CC(O)C5(C)CCC34C)C2(C)CO)C(OC2OCC(O)C(O)C2O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeTrifolium repens Ref.
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