KEGG   COMPOUND: C17204
Entry
C17204                      Compound                               
Name
Indole-3-acetaldoxime N-oxide;
IAOx N-oxide;
1-(1H-Indol-3-yl)-2-aci-nitroethane
Formula
C10H10N2O2
Exact mass
190.0742
Mol weight
190.1986
Structure
Reaction
R08607 R08608 R11735 R11736
Enzyme
1.14.14.45
Other DBs
PubChem: 96023613
ChEBI: 136445
NIKKAJI: J2.805.771G
LinkDB
KCF data

ATOM        14
            1   C8x C    12.2500  -15.0500
            2   C8x C    12.2500  -16.4500
            3   C8x C    13.4624  -17.1500
            4   C8y C    14.6749  -16.4500
            5   C8y C    14.6749  -15.0500
            6   C8x C    13.4624  -14.3500
            7   N4x N    16.0064  -16.8826
            8   C8x C    16.8293  -15.7500
            9   C8y C    16.0064  -14.6174
            10  C1b C    16.4375  -13.2906
            11  C2b C    17.8169  -12.9974
            12  N2b N    18.2463  -11.6773 #+
            13  O3a O    19.9157  -11.3822 #-
            14  O1b O    17.1869  -10.3054
BOND        15
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    5   9 1
            11    9  10 1
            12   10  11 1
            13   11  12 2
            14   12  13 1
            15   12  14 1

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