KEGG   COMPOUND: C15770
Entry
C15770                      Compound                               
Name
DIBOA;
2,4-Dihydroxy-1,4-benzoxazin-3-one;
2,4-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one
Formula
C8H7NO4
Exact mass
181.0375
Mol weight
181.1455
Structure
Reaction
Pathway
map00402  Benzoxazinoid biosynthesis
map00999  Biosynthesis of various plant secondary metabolites
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.14.110     2.4.1.202       3.2.1.182
Other DBs
CAS: 17359-54-5
PubChem: 47205096
ChEBI: 63558
KNApSAcK: C00036460
NIKKAJI: J67.842B
KCF data

ATOM        13
            1   C8y C    23.6810  -18.4190
            2   C8y C    23.6810  -19.8157
            3   N1y N    24.8905  -20.5140
            4   C5x C    26.1001  -19.8157
            5   C1y C    26.1001  -18.4190
            6   O2x O    24.8905  -17.7207
            7   C8x C    22.4715  -17.7207
            8   C8x C    21.2619  -18.4190
            9   C8x C    21.2619  -19.8157
            10  C8x C    22.4715  -20.5140
            11  O5x O    27.3283  -20.5250
            12  O1a O    27.3283  -17.7097
            13  O1b O    24.8905  -21.9140
BOND        14
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     1   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    2  10 1
            12    4  11 2
            13    5  12 1
            14    3  13 1

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