input word = C00055201

Metabolite InformationStructural formula
Name Cloversaponin V
Formula C41H62O15
Mw 794.40887131
CAS RN 143519-25-9
C_ID C00055201
InChIKey VLALWUMRBAMBNE-BKAKEHCLSA-N
InChICode InChI=1S/C41H62O15/c1-36(35(51)52)15-20-19-7-8-23-38(3)11-10-25(39(4,18-42)22(38)9-12-41(23,6)40(19,5)14-13-37(20,2)24(44)16-36)54-34-31(28(47)27(46)30(55-34)32(49)50)56-33-29(48)26(45)21(43)17-53-33/h7,20-23,25-31,33-34,42-43,45-48H,8-18H2,1-6H3,(H,49,50)(H,51,52)/t20-,21+,22+,23+,25-,26-,27-,28-,29+,30-,31+,33-,34+,36-,37+,38-,39+,40+,41+/m0/s1
SMILES C[C@@]1(C(=O)O)CC(=O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeTrifolium repens Ref.
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OrganismTrifolium repens
ReferenceSakamoto, S. et al., Phytochemistry, 1992, 31, 1773-1777 (Cloversaponins II,III and V)