input word = C00052853

Metabolite InformationStructural formula
Name Azadiralactone
Formula C21H28O4
Mw 344.19875938
CAS RN 1529774-20-6
C_ID C00052853
InChIKey BYAIUAPZAQKGIF-FCMZFCBMSA-N
InChICode InChI=1S/C21H28O4/c1-18(2)13-10-16(23)21(5)12(19(13,3)8-7-15(18)22)6-9-20(4)14(21)11-17(24)25-20/h7-8,11-13,16,23H,6,9-10H2,1-5H3/t12-,13+,16-,19-,20-,21-/m1/s1
SMILES CC1(C)C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)OC(=O)C=C4[C@]3(C)[C@H](O)C[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta indica Ref.
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