input word = C00033931

Metabolite InformationStructural formula
Name Hydrocosisaponin F
(-)-Hydrocosisaponin F
Formula C55H90O25
Mw 1150.57711843
CAS RN 1033425-40-9
C_ID C00033931 ,
InChIKey BWSBAXVGGJGGHX-ZQOTXJMRNA-N
InChICode InChI=1S/C55H90O25/c1-22(58)74-21-55-24(15-50(2,3)44(70)45(55)71)23-9-10-30-52(6)13-12-32(51(4,5)29(52)11-14-53(30,7)54(23,8)16-31(55)60)78-49-43(80-48-40(68)37(65)35(63)27(18-57)76-48)41(69)42(79-47-39(67)36(64)34(62)26(17-56)75-47)28(77-49)20-73-46-38(66)33(61)25(59)19-72-46/h9,24-49,56-57,59-71H,10-21H2,1-8H3/t24-,25-,26+,27+,28+,29-,30+,31+,32-,33-,34+,35+,36-,37-,38-,39+,40+,41-,42+,43+,44-,45-,46-,47-,48-,49-,52-,53+,54+,55-/m0/s1
SMILES CC(=O)OC[C@@]12C(CC(C)(C)[C@@H](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]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[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