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 C/C=C(C)C(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)CO[C@H]3[C@H]4O[C@]5(C)[C@H]6C[C@H](O[C@@H]7OC=C[C@@]76OC(C)=O)[C@]5(O)[C@@]4(C)[C@@H]4[C@@](OC)(C(=O)OC)OC[C@@]14[C@@H]32
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeMelia azedarach Ref.
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OrganismMelia azedarach
ReferenceK. Takeya et al., Chem. Abs., (1996), 125, 30042.