input word = C00029218

Metabolite InformationStructural formula
Name Verticinone N-oxide
Formula C27H43NO4
Mw 445.31920887
CAS RN 77410-35-6
C_ID C00029218 ,
InChIKey RTQDXHMAHWNJLQ-SRPOOLFXNA-N
InChICode InChI=1S/C27H43NO4/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25,32)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-23,25,29,31H,4-14H2,1-3H3/t15-,16-,17+,18+,19-,20-,21-,22-,23+,25-,26+,27-,28-/m0/s1
SMILES C[C@H]1CC[C@H]2[C@@](C)(O)[C@H]3CC[C@@H]4[C@@H](C[C@H]5[C@H]4CC(=O)[C@H]4C[C@@H](O)CC[C@@]45C)[C@@H]3C[N+]2([O-])C1
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg L-Asp Cholesterol
Organism
Kingdom Family Species Reference
PlantaeLiliaceaeFritillaria thunbergii Ref.
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