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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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Trimetoquinol hydrochloride hydrate (JP18)
Properties
Image
Occurences in reactions
MNX_ID
MNXM161921
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
19
H
26
ClNO
6
charge
0
mass
399.14487
reference
keggD:D05037
InChIKey
NYRVBYLXLHGXDP-UTLKBRERSA-N
InChI
InChI=1S/C19H23NO5.ClH.H2O/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14;;/h7-10,14,20-22H,4-6H2,1-3H3;1H;1H2/t14-;;/m0../s1
SMILES
COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC.Cl.O
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
kegg.drug:D05037
keggD:D05037
Trimetoquinol hydrochloride hydrate (JP18)
Caluyon (TN)
Tretoquinol hydrate
keggD:M_D05037
secondary/obsolete/fantasy identifier