input word = C00063874

Metabolite InformationStructural formula
Name Cloversaponin I methyl ester
Formula C37H58O9
Mw 646.40808345
CAS RN 143519-26-0
C_ID C00063874
InChIKey PEKUYILEQIJOEY-SASPCDTGSA-N
InChICode InChI=1S/C37H58O9/c1-32(2)17-21-20-9-10-23-34(4)13-12-25(45-31-28(42)26(40)27(41)29(46-31)30(43)44-8)35(5,19-38)22(34)11-14-37(23,7)36(20,6)16-15-33(21,3)24(39)18-32/h9,21-23,25-29,31,38,40-42H,10-19H2,1-8H3/t21-,22+,23+,25-,26-,27-,28+,29-,31+,33+,34-,35+,36+,37+/m0/s1
SMILES COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CC(=O)C5(C)CCC34C)C2(C)CO)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeTrifolium repens Ref.
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