input word = C00045169

Metabolite InformationStructural formula
Name 22,23-Dihydronimocinol
(-)-22,23-Dihydronimocinol
Formula C28H38O5
Mw 454.27192432
CAS RN 461441-51-0
C_ID C00045169 ,
InChIKey DQHRAIFEHNKZSV-DGWKVBKBNA-N
InChICode InChI=1S/C28H38O5/c1-16(29)33-24-22(31)23-25(2,3)21(30)10-13-27(23,5)20-9-12-26(4)18(17-11-14-32-15-17)7-8-19(26)28(20,24)6/h8,10,13,15,18,20,22-24,31H,7,9,11-12,14H2,1-6H3/t18-,20+,22+,23+,24+,26-,27+,28-/m0/s1
SMILES CC(=O)O[C@@H]1[C@H](O)[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3C3=COCC3)[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta indica Ref.
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