input word = C00047901

Metabolite InformationStructural formula
Name Gedunin
Formula C28H34O7
Mw 482.23045344
CAS RN 2753-30-2
C_ID C00047901 ,
InChIKey YJXDGWUNRYLINJ-MYOPFOQCNA-N
InChICode InChI=1S/C28H34O7/c1-15(29)33-20-13-18-24(2,3)19(30)8-10-25(18,4)17-7-11-26(5)21(16-9-12-32-14-16)34-23(31)22-28(26,35-22)27(17,20)6/h8-10,12,14,17-18,20-22H,7,11,13H2,1-6H3/t17-,18+,20-,21+,22-,25-,26+,27+,28-/m1/s1
SMILES [C@]12([C@]3([C@@H](C(=O)O[C@H]1c1cocc1)O3)[C@]1([C@H](CC2)[C@@]2([C@@H](C[C@H]1OC(=O)C)C(C(=O)C=C2)(C)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta indica Ref.
PlantaeMeliaceaeEntandrophragma angolense Ref.
PlantaeMeliaceaeXylocarpus granatum Ref.
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OrganismAzadirachta indica
ReferenceSaleem, S. et al., Phytotherapy Res., 32, (2018), 1241-1272.