Search MNXref
SystemsX.ch
The Swiss Initiative in Systems Biology
 Feedback

vomilenine

PropertiesImageOccurences in reactions
MNX_IDMNXM726776Image of MNXM726776
#reac
in my sandbox 0
in MNXref (generic)10
in models (compartimentalized) 0
formulaC21H22N2O3
charge0
mass350.16304
referencemetacycM:VOMILENINE
InChIKeyBERYBAUEDCRDKM-XLOJXEPKSA-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?/m1/s1
SMILESC/C=C1\[C@H]2C[C@H]3C4=Nc5ccccc5C45C[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
metacyc.compound:VOMILENINE
metacycM:VOMILENINE 		vomilenine
seed.compound:cpd01216
seedM:cpd01216 		Vomilenine
vomilenine
seedM:M_cpd01216 secondary/obsolete/fantasy identifier