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 OC([C@](C[C@]1([H])[C@@]2(C)CC[C@]3(C)C1=CC[C@@]4([H])[C@@]3(C)CC[C@]5([H])[C@]4(C)CC[C@H](O[C@H]6[C@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](O)CO7)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O6)[C@]5(C)CO)(C)CC2=O)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeTrifolium repens Ref.
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