input word = C00049007

Metabolite InformationStructural formula
Name Nimbolide
Formula C27H30O7
Mw 466.19915331
CAS RN 25990-37-8
C_ID C00049007 ,
InChIKey JZIQWNPPBKFOPT-UHFFFAOYNA-N
InChICode InChI=1S/C27H30O7/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/h6-9,12,15-17,21-23H,10-11H2,1-5H3/t15-,16-,17-,21-,22-,23+,25-,26-,27+/m0/s1
SMILES [C@H]12[C@]([C@H]([C@@]3([C@H]4[C@@H]1OC(=O)[C@]4(C=CC3=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.
PlantaeMeliaceaeAzadirachta indica Ref.
PlantaeMeliaceaeMelia azadirachta Ref.
PlantaeMeliaceaeMelia indica Ref.
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OrganismAzadirachta indica
ReferenceSaleem, S. et al., Phytotherapy Res., 32, (2018), 1241-1272.