KEGG   COMPOUND: C11130
Entry
C11130                      Compound                               
Name
3-Hydroxyindolin-2-one;
1,3-Dihydro-3-hydroxy-2H-indol-2-one;
Dioxindole
Formula
C8H7NO2
Exact mass
149.0477
Mol weight
149.1467
Structure
Reaction
Pathway
map00402  Benzoxazinoid biosynthesis
map00999  Biosynthesis of various plant secondary metabolites
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00952  Benzoxazinoid biosynthesis, indoleglycerol phosphate => DIMBOA-glucoside
Enzyme
Other DBs
CAS: 61-71-2
PubChem: 13312
ChEBI: 28536
3DMET: B05517
NIKKAJI: J4.817H
LinkDB
KCF data

ATOM        11
            1   C8x C    21.9309  -16.6849
            2   C8x C    21.9309  -18.0842
            3   C8x C    23.1457  -18.7839
            4   C8x C    23.1457  -15.9852
            5   C8y C    24.3533  -16.6849
            6   C8y C    24.3474  -18.0876
            7   N1x N    25.6797  -18.5268
            8   C5x C    26.5088  -17.3954
            9   C1y C    25.6892  -16.2571
            10  O5x O    27.9082  -17.4012
            11  O1a O    26.1272  -14.9280
BOND        12
            1     1   2 1
            2     2   3 2
            3     3   6 1
            4     5   4 1
            5     5   6 2
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9   5 1
            10    4   1 2
            11    8  10 2
            12    9  11 1

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