input word = C00049213

Metabolite InformationStructural formula
Name Maejaposide A
(-)-Maejaposide A
Formula C65H104O30
Mw 1364.66124199
CAS RN 221467-02-3
C_ID C00049213 ,
InChIKey CWPXGPLYNDYMMN-SCHHPODUNA-N
InChICode InChI=1S/C65H104O30/c1-10-11-12-13-36(70)88-35-22-59(3,4)20-32-64-19-15-31-61(7)17-16-34(60(5,6)30(61)14-18-62(31,8)63(64,9)21-33(69)65(32,35)58(83)95-64)89-57-51(94-54-45(79)41(75)39(73)28(23-66)86-54)47(46(80)48(91-57)52(81)82)90-56-50(43(77)40(74)29(24-67)87-56)93-55-49(42(76)37(71)26(2)85-55)92-53-44(78)38(72)27(68)25-84-53/h12-13,26-35,37-51,53-58,66-69,71-80,83H,10-11,14-25H2,1-9H3,(H,81,82)/b13-12-/t26-,27+,28+,29+,30-,31+,32-,33+,34-,35-,37-,38-,39-,40-,41-,42+,43-,44+,45+,46-,47-,48-,49+,50+,51+,53-,54-,55-,56-,57+,58+,61-,62+,63-,64+,65-/m0/s1
SMILES [C@@H]1([C@]23[C@@H](CC(C[C@@H]2OC(=O)/C=C\CCC)(C)C)[C@]2([C@@](C[C@H]3O)([C@]3([C@H](CC2)[C@@]2([C@@H](CC3)C([C@H](CC2)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O[C@@H]2O[C@@H]([C@@H]([C@@H]([C@H]2O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)O)O)CO)O)C(=O)O)(C)C)C)C)C)O1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMaesaceaeMaesa japonica Ref.
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