KEGG   COMPOUND: C20799Help
Entry
C20799                      Compound                               

Name
Grixazone B
Formula
C18H15N3O7S
Exact mass
417.0631
Mol weight
417.3926
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00997  Biosynthesis of various secondary metabolites - part 3
map01110  Biosynthesis of secondary metabolites
Enzyme
Other DBs
PubChem: 254741266
ChEMBL: CHEMBL1224597
KCF data Show

ATOM        29
            1   C8y C     9.1700  -16.3800
            2   C8x C     9.1700  -17.7800
            3   C8x C    10.3824  -18.4800
            4   C8y C    11.5949  -17.7800
            5   C8y C    11.5949  -16.3800
            6   C8x C    10.3824  -15.6800
            7   O2x O    12.8073  -18.4800
            8   C8y C    14.0197  -17.7800
            9   C8y C    14.0197  -16.3800
            10  N5x N    12.8073  -15.6800
            11  C8x C    15.2322  -18.4800
            12  C8y C    16.4446  -17.7800
            13  C8y C    16.4446  -16.3800
            14  C8y C    15.2322  -15.6800
            15  O5x O    17.6611  -18.4823
            16  N1a N    17.6611  -15.6777
            17  S2a S    15.2322  -14.2803
            18  C6a C     7.9576  -15.6800
            19  C1b C    16.4654  -13.5680
            20  C1c C    16.4654  -12.1680
            21  C6a C    17.6611  -11.4777
            22  O6a O    18.8586  -12.1693
            23  O6a O    17.6612  -10.0802
            24  N1b N    15.2468  -11.4643
            25  C5a C    14.0376  -12.1624
            26  C1a C    12.8571  -11.4808
            27  O5a O    14.0371  -13.5796
            28  O6a O     6.7621  -16.3704
            29  O6a O     7.9575  -14.2802
BOND        31
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    8  11 2
            13   11  12 1
            14   12  13 1
            15   13  14 2
            16    9  14 1
            17   12  15 2
            18   13  16 1
            19   14  17 1
            20    1  18 1
            21   17  19 1
            22   20  19 1 #Down
            23   20  21 1
            24   21  22 1
            25   21  23 2
            26   20  24 1
            27   24  25 1
            28   25  26 1
            29   25  27 2
            30   18  28 1
            31   18  29 2

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