input word = C00029201

Metabolite InformationStructural formula
Name Veratramine N-oxide
Formula C27H35NO3
Mw 421.26169399
CAS RN 113706-19-7
C_ID C00029201 ,
InChIKey BRUUVGAJQHNVGN-SGRZNHCKNA-N
InChICode InChI=1S/C27H38NO3/c1-15-11-25(30)26(28(31)14-15)17(3)20-7-8-21-22-6-5-18-12-19(29)9-10-27(18,4)24(22)13-23(21)16(20)2/h5,7-8,15,17,19,22,24-26,29-30H,6,9-14H2,1-4H3/t15-,17-,19-,22-,24-,25+,26-,27-/m0/s1
SMILES C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2(C1)C)Cc1c3ccc(c1C)[C@@H]([C@H]1[C@@H](C[C@@H](C[N]1=O)C)O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMelanthiaceaeVeratrum mentzeanum Ref.
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