KEGG   COMPOUND: C10641Help
Entry
C10641                      Compound                               

Name
Aurachin D
Formula
C25H33NO
Exact mass
363.2562
Mol weight
363.5356
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00998  Biosynthesis of secondary metabolites - other antibiotics
map01100  Metabolic pathways
map01130  Biosynthesis of antibiotics
Module
M00848  Aurachin biosynthesis, anthranilate => aurachin A
Enzyme
1.14.13.-       2.5.1.-
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Quinoline alkaloids
    C10641  Aurachin D
BRITE hierarchy
Other DBs
CAS: 108354-13-8
PubChem: 12824
ChEBI: 2921
ChEMBL: CHEMBL573376
KNApSAcK: C00002135
3DMET: B04020
NIKKAJI: J81.896H
KCF data Show

ATOM        27
            1   C8x C    16.9932  -17.7109
            2   C8x C    16.9932  -19.1129
            3   C8x C    18.2110  -19.8103
            4   C8x C    18.2110  -17.0066
            5   C8y C    19.4148  -17.7109
            6   C8y C    19.4089  -19.1129
            7   N4x N    20.6209  -19.8153
            8   C8y C    21.8389  -19.1232
            9   C8y C    21.8448  -17.7213
            10  C8y C    20.6328  -17.0117
            11  C1b C    23.0515  -17.0206
            12  C2b C    24.2632  -17.7251
            13  C2c C    25.4747  -17.0277
            14  C1b C    26.6864  -17.7321
            15  C1b C    27.8981  -17.0347
            16  C2b C    29.1028  -17.7392
            17  C2c C    30.3143  -17.0418
            18  C1b C    31.5260  -17.7463
            19  C1b C    32.7377  -17.0489
            20  C2b C    33.9493  -17.7532
            21  C2c C    35.1610  -17.0558
            22  C1a C    36.3727  -17.7603
            23  O5x O    20.6211  -15.6047
            24  C1a C    23.0444  -19.8174
            25  C1a C    25.4678  -15.6258
            26  C1a C    30.3074  -15.6399
            27  C1a C    35.1539  -15.6541
BOND        28
            1    12  13 2
            2     3   6 1
            3    13  14 1
            4     5   4 1
            5    14  15 1
            6     4   1 2
            7    15  16 1
            8     5   6 2
            9    16  17 2
            10    6   7 1
            11   17  18 1
            12    7   8 1
            13   18  19 1
            14    8   9 2
            15   19  20 1
            16    9  10 1
            17   20  21 2
            18   10   5 1
            19   21  22 1
            20   10  23 2
            21    9  11 1
            22    8  24 1
            23    1   2 1
            24   13  25 1
            25   11  12 1
            26   17  26 1
            27    2   3 2
            28   21  27 1

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