KEGG   COMPOUND: C10641
Entry
C10641                      Compound                               

Name
Aurachin D
Formula
C25H33NO
Exact mass
363.2562
Mol weight
363.5356
Structure
Reaction
Pathway
map00998  Biosynthesis of various secondary metabolites - part 2
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
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
Other DBs
CAS: 108354-13-8
PubChem: 12824
ChEBI: 2921
ChEMBL: CHEMBL573376
KNApSAcK: C00002135
3DMET: B04020
NIKKAJI: J81.896H
KCF data

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

» Japanese version

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Ontology (1)   
   KEGG BRITE (1)   
Pathway (4)   
   KEGG PATHWAY (3)   
   KEGG MODULE (1)   
Drug (1)   
   CHEMBL (1)   
Chemical substance (5)   
   PubChem (1)   
   ChEBI (1)   
   3DMET (1)   
   KNApSAcK (1)   
   NIKKAJI (1)   
Chemical reaction (2)   
   KEGG REACTION (2)   
Gene (2)   
   KEGG GENES (2)   
All databases (15)   

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