KEGG   COMPOUND: C12434Help
Entry
C12434                      Compound                               

Name
(S)-DNPA;
4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho[2,3-c]pyran-3-acetic acid
Formula
C16H14O5
Exact mass
286.0841
Mol weight
286.2794
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01057  Biosynthesis of type II polyketide products
map01100  Metabolic pathways
map01130  Biosynthesis of antibiotics
Module
M00779  Dihydrokalafungin biosynthesis, octaketide => dihydrokalafungin
Enzyme
4.2.1.-
Other DBs
PubChem: 582824
ChEBI: 31034
PDB-CCD: SDN[PDBj]
3DMET: B04514
NIKKAJI: J1.354.584G
LinkDB All DBs
KCF data Show

ATOM        21
            1   C8y C    22.1235  -17.2337
            2   C8y C    22.1160  -18.6383
            3   C5x C    23.3367  -16.5399
            4   C8y C    20.9139  -16.5205
            5   C2x C    23.3258  -19.3424
            6   C8x C    20.8975  -19.3288
            7   C2y C    24.4694  -17.2492
            8   O5x O    23.3360  -15.1214
            9   C8x C    19.6955  -17.2203
            10  O1a O    20.9117  -15.1012
            11  C2y C    24.5305  -18.6440
            12  C8x C    19.6880  -18.6251
            13  C2y C    25.7521  -16.5588
            14  C1x C    25.7287  -19.3358
            15  O2x O    26.9442  -17.2711
            16  C1a C    25.7515  -15.1403
            17  C1y C    26.9378  -18.6581
            18  C1b C    28.1512  -19.3552
            19  C6a C    29.3708  -18.6472
            20  O6a O    30.5844  -19.3443
            21  O6a O    29.3651  -17.2531
BOND        23
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 2
            9     4  10 1
            10    5  11 2
            11    6  12 2
            12    7  13 2
            13   11  14 1
            14   13  15 1
            15   13  16 1
            16   14  17 1
            17   17  18 1 #Down
            18   18  19 1
            19   19  20 1
            20   19  21 2
            21    7  11 1
            22    9  12 1
            23   15  17 1

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