KEGG   COMPOUND: C12312
Entry
C12312                      Compound                               
Name
Indolin-2-one
Formula
C8H7NO
Exact mass
133.0528
Mol weight
133.15
Structure
Reaction
R07403 R07421
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
1.14.14.153     1.14.14.157
Other DBs
PubChem: 582703
ChEBI: 31697
PDB-CCD: W6P[PDBj]
NIKKAJI: J1.393E
LinkDB
KCF data

ATOM        10
            1   C8y C    23.7066  -18.4026
            2   C8y C    23.7066  -19.8012
            3   N1x N    25.0367  -20.2334
            4   C5x C    25.8588  -19.1019
            5   C1x C    25.0367  -17.9705
            6   C8x C    22.4954  -17.7033
            7   C8x C    21.2841  -18.4026
            8   C8x C    21.2841  -19.8012
            9   C8x C    22.4954  -20.5005
            10  O5x O    27.2729  -19.1019
BOND        11
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     1   6 1
            7     6   7 2
            8     7   8 1
            9     8   9 2
            10    2   9 1
            11    4  10 2

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