input word = C00049215

Metabolite InformationStructural formula
Name Maejaposide D
(-)-Maejaposide D
Formula C69H110O32
Mw 1450.69802142
CAS RN 221467-40-9
C_ID C00049215 ,
InChIKey VWZDRMJESNLWLD-ZNOUMJFCNA-N
InChICode InChI=1S/C69H110O32/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/h13,27-53,57-62,70-83,88H,14-25H2,1-12H3,(H,84,85)/b26-13-/t27-,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+,57+,58+,59+,60+,61-,62+,65+,66-,67+,68+,69-/m1/s1
SMILES [C@H]1([C@@]23[C@@H](CC([C@H]([C@@H]2OC(=O)[C@@H](CC)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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OrganismMaesa japonica
ReferenceKoike,J.Nat.Prod.,62,(1999),228