input word = C00058334

Metabolite InformationStructural formula
Name 3-Tigloyl-1,20-diacetyl-11-methoxymeliacarpinin
Formula C37H48O15
Mw 732.29932087
CAS RN 177795-21-0
C_ID C00058334
InChIKey GXFZBHKFYACTPZ-ZZAPNIFLSA-N
InChICode InChI=1S/C37H48O15/c1-10-17(2)27(40)49-21-14-22(48-18(3)38)34-16-47-36(44-9,29(41)43-8)28(34)32(6)26(24-25(34)31(21,5)15-46-24)52-33(7)20-13-23(37(32,33)42)50-30-35(20,11-12-45-30)51-19(4)39/h10-12,20-26,28,30,42H,13-16H2,1-9H3/b17-10+/t20-,21-,22+,23+,24-,25+,26-,28+,30+,31-,32-,33-,34+,35+,36+,37+/m1/s1
SMILES O[C@@]1([C@@](O[C@@]2([H])[C@@]1([C@@]3([C@](C(OC)=O)(OC)OC[C@]34[C@@]5([H])[C@@]2([H])OC[C@]5(C)[C@H](OC(/C(C)=C/C)=O)C[C@@H]4OC(C)=O)[H])C)(C)[C@H]6C7)[C@H]7O[C@]8([H])OC=C[C@@]86OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeMelia azedarach Ref.
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