input word = C00060627

Metabolite InformationStructural formula
Name Foliatheasaponin II
Formula C63H92O26
Mw 1264.58768311
CAS RN 195193-69-2
C_ID C00060627
InChIKey OXSSFBJOUJCMPS-WXLDJIECSA-N
InChICode InChI=1S/C63H92O26/c1-28(66)82-52-51(85-39(70)17-14-29-12-10-9-11-13-29)58(2,3)22-31-30-15-16-36-60(6)20-19-38(59(4,5)35(60)18-21-61(36,7)62(30,8)23-37(69)63(31,52)27-65)84-57-50(89-55-45(76)43(74)42(73)34(24-64)83-55)47(46(77)48(87-57)53(78)79)86-56-49(41(72)33(68)26-81-56)88-54-44(75)40(71)32(67)25-80-54/h9-15,17,31-38,40-52,54-57,64-65,67-69,71-77H,16,18-27H2,1-8H3,(H,78,79)/b17-14+/t31-,32+,33-,34+,35-,36+,37+,38-,40-,41-,42-,43-,44+,45+,46-,47-,48-,49+,50+,51-,52-,54-,55-,56-,57+,60-,61+,62+,63-/m0/s1
SMILES CC(=O)OC1C(OC(=O)C=Cc2ccccc2)C(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CC(O)C21CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia sinensis Ref.
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