input word = C00058321

Metabolite InformationStructural formula
Name 1-Tigloyl-3,20-diacetyl-11-methoxymeliacarpinin
Formula C37H48O15
Mw 732.29932087
CAS RN 177795-20-9
C_ID C00058321
InChIKey IFDBQDQJQMSEDP-ZZAPNIFLSA-N
InChICode InChI=1S/C37H48O15/c1-10-17(2)27(40)49-22-14-21(48-18(3)38)31(5)15-46-24-25(31)34(22)16-47-36(44-9,29(41)43-8)28(34)32(6)26(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 [H][C@]1(O[C@@H]2[C@]3(O)[C@](C)([C@@]4(O[C@@]3([C@H]5C2)C)[H])[C@]6([H])[C@@](C(OC)=O)(OC[C@]67[C@]8([C@]4(OC[C@@]8([C@@H](C[C@@H]7OC(/C(C)=C/C)=O)OC(C)=O)C)[H])[H])OC)[C@@]5(C=CO1)OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeMelia azedarach Ref.
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