input word = C00033928

Metabolite InformationStructural formula
Name Hydrocosisaponin C
(-)-Hydrocosisaponin C
Formula C51H82O21
Mw 1030.53485968
CAS RN 1033425-37-4
C_ID C00033928 ,
InChIKey FOVMSSYOMJBWOG-WWIUUZLINA-N
InChICode InChI=1S/C51H82O21/c1-22(53)67-21-51-25(16-46(3,4)42(41(51)64)68-23(2)54)24-10-11-30-48(7)14-13-32(47(5,6)29(48)12-15-49(30,8)50(24,9)17-31(51)56)71-45-40(72-44-39(63)36(60)34(58)27(18-52)69-44)37(61)35(59)28(70-45)20-66-43-38(62)33(57)26(55)19-65-43/h10,25-45,52,55-64H,11-21H2,1-9H3/t25-,26-,27-,28-,29+,30-,31-,32+,33-,34-,35-,36+,37+,38-,39-,40-,41+,42+,43-,44+,45+,48+,49-,50-,51+/m1/s1
SMILES CC(=O)OC[C@@]12C(CC(C)(C)[C@@H](OC(C)=O)[C@@H]1O)C1=CC[C@@H]3[C@@]4(C)CC[C@H](O[C@@H]5O[C@H](COC6OC[C@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)C[C@H]2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeHydrocotyle sibthorpioides Ref.
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