input word = C00063903

Metabolite InformationStructural formula
Name Saponin 7
Formula C64H106O30
Mw 1354.67689205
CAS RN 1472634-15-3
C_ID C00063903
InChIKey NMMYHIHPRVYSQO-SZPRDVAZSA-N
InChICode InChI=1S/C64H106O30/c1-25-36(70)41(75)44(78)53(85-25)92-49-39(73)29(21-67)88-57(51(49)94-52-47(81)48(26(68)22-82-52)91-54-45(79)42(76)37(71)27(19-65)86-54)89-30-23-83-56(50(40(30)74)93-55-46(80)43(77)38(72)28(20-66)87-55)90-35-11-12-60(6)31(59(35,4)5)9-13-61(7)32(60)10-14-64-33-17-58(2,3)15-16-63(33,24-84-64)34(69)18-62(61,64)8/h25-57,65-81H,9-24H2,1-8H3/t25-,26+,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-,54-,55-,56-,57-,60-,61+,62-,63+,64-/m0/s1
SMILES CC1OC(OC2C(O)C(CO)OC(OC3COC(OC4CCC5(C)C(CCC6(C)C5CCC57OCC8(CCC(C)(C)CC85)C(O)CC67C)C4(C)C)C(OC4OC(CO)C(O)C(O)C4O)C3O)C2OC2OCC(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnthericaceaeChlorophytum comosum Ref.
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