Search MNXref
**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**
 Feedback

8-chlorotheophylline

PropertiesImage
MNX_IDMNXM1594186 Image of MNXM1594186
referencevmhM:dimenhycltheo
vmhM:dimenhycltheo
formulaC7H6ClN4O2
global charge-1
mol weight213.604
InChIKeyXKHWSLTUHUEVES-UHFFFAOYSA-M
InChIInChI=1S/C7H7ClN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h13H,1-2H3/p-1
SMILESCn1c2nc(Cl)nc-2c([O-])n(C)c1=O
MNX internals
InChI (mnx)InChI=1/C7H7ClN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h13H,1-2H3 Image of MNXM1594186
SMILES (mnx)[CH3:1][n:11]1[c:4]2[n:10][c:6]([Cl:8])[n:9][c:3]-2[c:5]([OH:13])[n:12]([CH3:2])[c:7]1=[O:14]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

vmhM:dimenhycltheo
vmhM:dimenhycltheo
vmhmetabolite:dimenhycltheo
vmhmetabolite:dimenhycltheo
XKHWSLTUHUEVES-UHFFFAOYSA-M 		8-chlorotheophylline

vmhM:M_dimenhycltheo 		secondary/obsolete/fantasy identifier