input word = C00058377

Metabolite InformationStructural formula
Name Azedarachin A
Formula C33H44O11
Mw 616.28836225
CAS RN 157622-62-3
C_ID C00058377
InChIKey GFWAUGVHDIJBDI-HIZKEZDASA-N
InChICode InChI=1S/C33H44O11/c1-7-15(2)27(39)43-28-29(4)19-11-20(35)31(6)25(32(19,14-41-28)21(36)12-22(29)42-16(3)34)24(37)26(38)30(5)18(17-8-9-40-13-17)10-23-33(30,31)44-23/h8-9,13,15,18-23,25-26,28,35-36,38H,7,10-12,14H2,1-6H3/t15?,18-,19-,20+,21-,22-,23+,25-,26-,28-,29+,30+,31+,32+,33+/m0/s1
SMILES CCC(C)C(=O)O[C@@H]1OC[C@@]23[C@H]4C(=O)[C@H](O)[C@@]5(C)[C@H](c6ccoc6)C[C@H]6O[C@]65[C@]4(C)[C@H](O)C[C@H]2[C@]1(C)[C@@H](OC(C)=O)C[C@@H]3O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeMelia azedarach Ref.
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