COMPOUND: C11130
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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
Mol file
KCF file
DB search
Reaction
R07421
R07422
Pathway
map00402
Benzoxazinoid biosynthesis
map00999
Biosynthesis of various plant secondary metabolites
map01110
Biosynthesis of secondary metabolites
Enzyme
1.14.14.109
1.14.14.157
Other DBs
CAS:
61-71-2
PubChem:
13312
ChEBI:
28536
3DMET:
B05517
NIKKAJI:
J4.817H
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All DBs
KCF data
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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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