input word = C00052764

Metabolite InformationStructural formula
Name 7-deacetylnimolicinol
Formula C26H32O6
Mw 440.21988875
CAS RN 451463-18-6
C_ID C00052764
InChIKey KBHQRXUIHKRZTP-PFBCBEJHSA-N
InChICode InChI=1S/C26H32O6/c1-22(2)17-12-20(28)25(5)16(23(17,3)9-7-19(22)27)6-10-24(4)18(25)13-21(29)32-26(24,30)15-8-11-31-14-15/h7-9,11,13-14,16-17,20,28,30H,6,10,12H2,1-5H3/t16-,17+,20-,23-,24-,25-,26-/m1/s1
SMILES CC1(C)C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)C(=CC(=O)O[C@]4(O)c4ccoc4)[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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