KEGG   COMPOUND: C11468Help
Entry
C11468                      Compound                               

Name
3,4-Dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carboxylic acid;
Benzoxazolinate
Formula
C11H9NO5
Exact mass
235.0481
Mol weight
235.1929
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01059  Biosynthesis of enediyne antibiotics
map01100  Metabolic pathways
map01130  Biosynthesis of antibiotics
Module
M00826  C-1027 benzoxazolinate moiety biosynthesis, chorismate => benzoxazolinyl-CoA
Enzyme
2.1.1.-
Other DBs
CAS: 105897-30-1
PubChem: 13639
ChEBI: 1374
NIKKAJI: J387.985B
LinkDB All DBs
KCF data Show

ATOM        17
            1   C8y C    24.2830  -17.1849
            2   C8x C    23.0740  -17.8942
            3   C8y C    23.0889  -19.2994
            4   C8x C    24.3092  -19.9891
            5   C6a C    24.2703  -15.7821
            6   O6a O    25.4726  -15.0663
            7   O6a O    23.0482  -15.0883
            8   O2a O    21.8809  -20.0174
            9   C1a C    20.6576  -19.3258
            10  C8y C    25.4998  -17.8736
            11  C8y C    25.5068  -19.2679
            12  O2x O    26.7187  -19.9627
            13  C8y C    27.9239  -19.2561
            14  C8y C    27.9170  -17.8616
            15  N4x N    26.7049  -17.1739
            16  O5x O    29.1293  -17.1576
            17  C2a C    29.1432  -19.9549
BOND        18
            1     3   8 1
            2     4  11 1
            3     8   9 1
            4    10   1 1
            5     1   5 1
            6     1   2 2
            7     5   6 1
            8     2   3 1
            9    10  11 2
            10   11  12 1
            11   12  13 1
            12   13  14 1
            13   14  15 1
            14   15  10 1
            15    5   7 2
            16   14  16 2
            17    3   4 2
            18   13  17 2

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