input word = C00063785

Metabolite InformationStructural formula
Name Saponin 6
Formula C60H98O27
Mw 1250.62954793
CAS RN 1312714-03-6
C_ID C00063785
InChIKey BXXBZWSEWZPBSV-LLHJTMKYSA-N
InChICode InChI=1S/C60H98O27/c1-25-36(66)41(71)44(74)50(80-25)85-46-39(69)29(20-62)82-53(48(46)87-49-43(73)37(67)27(64)21-76-49)83-30-22-77-52(47(40(30)70)86-51-45(75)42(72)38(68)28(19-61)81-51)84-35-11-12-56(6)31(54(35,3)4)9-13-57(7)32(56)10-14-60-33-17-55(5,23-78-26(2)63)15-16-59(33,24-79-60)34(65)18-58(57,60)8/h25,27-53,61-62,64-75H,9-24H2,1-8H3/t25-,27+,28+,29+,30-,31-,32+,33+,34+,35-,36-,37-,38+,39+,40-,41+,42-,43+,44+,45+,46-,47+,48+,49-,50-,51-,52-,53-,55-,56-,57+,58-,59+,60-/m0/s1
SMILES CC(=O)OCC1(C)CCC23COC4(CCC5C6(C)CCC(OC7OCC(OC8OC(CO)C(O)C(OC9OC(C)C(O)C(O)C9O)C8OC8OCC(O)C(O)C8O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnthericaceaeChlorophytum comosum Ref.
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