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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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The Swiss Initiative in Systems Biology
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11-Deoxytetrodotoxin
Properties
Image
Occurences in reactions
MNX_ID
MNXM33123
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
11
H
17
N
3
O
7
charge
0
mass
303.10665
reference
keggC:C20026
InChIKey
XXUFXWUHBMGUMY-FDOMXQSUSA-N
InChI
InChI=1S/C11H17N3O7/c1-9(18)4-2-6(16)13-8(12)14-10(2)3(15)5(9)21-11(19,20-4)7(10)17/h2-7,15-19H,1H3,(H3,12,13,14)/t2-,3?,4-,5+,6+,7+,9+,10-,11+/m1/s1
SMILES
C[C@@]1(O)[C@H]2O[C@@]3(O)O[C@@H]1[C@@H]1[C@H](O)N=C(N)N[C@]1(C2O)[C@@H]3O
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
seed.compound:cpd21265
seedM:cpd21265
kegg.compound:C20026
keggC:C20026
11-Deoxytetrodotoxin
keggC:M_C20026
seedM:M_cpd21265
secondary/obsolete/fantasy identifier