input word = C00048939

Metabolite InformationStructural formula
Name 2,3-Dihydronimbolide
(+)-2,3-Dihydronimbolide
Formula C27H32O7
Mw 468.21480338
CAS RN 209912-13-0
C_ID C00048939 ,
InChIKey IVORRUXZODBSHC-DFSAIAKLNA-N
InChICode InChI=1S/C27H32O7/c1-13-15(14-7-9-32-12-14)10-16-20(13)27(4)17(11-19(29)31-5)26(3)18(28)6-8-25(2)22(26)21(23(27)33-16)34-24(25)30/h7,9,12,15-17,21-23H,6,8,10-11H2,1-5H3/t15-,16-,17-,21-,22+,23-,25-,26+,27-/m1/s1
SMILES [C@H]12[C@]([C@@H]([C@@]3([C@H]4[C@H]1OC(=O)[C@@]4(CCC3=O)C)C)CC(=O)OC)(C1=C([C@@H](C[C@H]1O2)c1ccoc1)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta excelsa Ref.
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