input word = C00049214

Metabolite InformationStructural formula
Name Maejaposide C
(-)-Maejaposide C
Formula C69H108O32
Mw 1448.68237136
CAS RN 221467-31-8
C_ID C00049214 ,
InChIKey GMWFLRBBLJCJDG-KTCSHVJFNA-N
InChICode InChI=1S/C69H108O32/c1-13-26(3)55(86)99-52-53(100-56(87)27(4)14-2)69-34(21-63(52,6)7)68(101-62(69)88)20-16-33-65(10)18-17-36(64(8,9)32(65)15-19-66(33,11)67(68,12)22-35(69)73)93-61-51(98-58-45(82)41(78)39(76)30(23-70)91-58)47(46(83)48(95-61)54(84)85)94-60-50(43(80)40(77)31(24-71)92-60)97-59-49(42(79)37(74)28(5)90-59)96-57-44(81)38(75)29(72)25-89-57/h13-14,28-53,57-62,70-83,88H,15-25H2,1-12H3,(H,84,85)/b26-13-,27-14-/t28-,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-,57-,58-,59-,60-,61+,62-,65-,66+,67-,68-,69?/m0/s1
SMILES [C@H]1([C@]23[C@@H](CC([C@H]([C@@H]2OC(=O)/C(=C\C)/C)OC(=O)/C(=C\C)/C)(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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