input word = C00033926

Metabolite InformationStructural formula
Name Hydrocosisaponin A
(-)-Hydrocosisaponin A
Formula C51H82O21
Mw 1030.53485968
CAS RN 10334-25-35-2
C_ID C00033926 ,
InChIKey ABMWBKNSGMUGOD-WWIUUZLINA-N
InChICode InChI=1S/C51H82O21/c1-22(54)67-41-42(68-23(2)55)51(21-53)25(16-46(41,3)4)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)57)71-45-40(72-44-39(64)36(61)34(59)27(18-52)69-44)37(62)35(60)28(70-45)20-66-43-38(63)33(58)26(56)19-65-43/h10,25-45,52-53,56-64H,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)O[C@H]1[C@H](OC(C)=O)[C@@]2(CO)C(CC1(C)C)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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OrganismHydrocotyle sibthorpioides
ReferenceHuang,Phytochem.,69,(2008),1597