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 CCC/C=CC(=O)O[C@H]1CC(C)(C)C[C@@H]2[C@]13[C@H](O)C[C@]1(C)[C@@]2(CC[C@@H]2[C@@]4(C)CC[C@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[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@]21C)O[C@@H]3O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMaesaceaeMaesa japonica Ref.
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