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vomilenine

PropertiesImageOccurences in reactions
MNX_IDMNXM726775Image of MNXM726775
#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
formulaC21H22N2O3
charge0
mass350.16304
referencechebi:16408
InChIKeyBERYBAUEDCRDKM-FDHUPVAHSA-N
InChIInChI=1S/C21H22N2O3/c1-3-11-12-8-15-18-21(13-6-4-5-7-14(13)22-18)9-16(23(15)20(11)25)17(12)19(21)26-10(2)24/h3-7,12,15-17,19-20,25H,8-9H2,1-2H3/b11-3+/t12-,15-,16-,17?,19+,20+,21+/m0/s1
SMILESC/C=C1\[C@@H]2C[C@H]3C4=Nc5ccccc5[C@]45C[C@@H](C2[C@H]5OC(C)=O)N3[C@@H]1O
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:16408
chebi:16408 		vomilenine
21alpha-hydroxy-22-norajmala-1,19-dien-17alpha-yl acetate
Vomilenine
kegg.compound:C01761
keggC:C01761 		Vomilenine
chebi:10021
chebi:15317
chebi:27312
keggC:M_C01761 		secondary/obsolete/fantasy identifier