KEGG   COMPOUND: C21140Help
Entry
C21140                      Compound                               

Name
Aurachin B
Formula
C25H33NO2
Exact mass
379.2511
Mol weight
379.535
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
1.1.1.394       1.14.13.-
Other DBs
CAS: 108354-12-7
PubChem: 313046620
ChEMBL: CHEMBL574536
LinkDB All DBs
KCF data Show

ATOM        28
            1   C8x C     8.9600  -16.1700
            2   C8x C     8.9600  -17.5700
            3   C8x C    10.1500  -18.2700
            4   C8x C    10.1500  -15.4700
            5   C8y C    11.3400  -16.1700
            6   C8y C    11.3400  -17.5700
            7   N5y N    12.6000  -18.2700 #+
            8   C8y C    13.7900  -17.5700
            9   C8y C    13.7900  -16.1700
            10  C8y C    12.6000  -15.4700
            11  C1a C    14.9800  -18.2700
            12  O1a O    14.9800  -15.4700
            13  O3a O    12.6000  -19.6700 #-
            14  C1b C    12.6000  -12.8100
            15  C2b C    13.8600  -12.1100
            16  C2c C    15.0500  -12.8100
            17  C1b C    16.2400  -12.1100
            18  C1b C    17.5000  -12.8100
            19  C2b C    18.6900  -12.1100
            20  C2c C    19.8800  -12.8100
            21  C1b C    21.0700  -12.0400
            22  C1b C    22.3300  -12.7400
            23  C2b C    23.5200  -12.0400
            24  C2c C    24.7100  -12.7400
            25  C1a C    25.9700  -12.0400
            26  C1a C    15.0500  -14.2100
            27  C1a C    19.8800  -14.2100
            28  C1a C    24.7100  -14.1400
BOND        29
            1     3   6 2
            2     5   4 2
            3     4   1 1
            4     5   6 1
            5     6   7 1
            6     7   8 2
            7     8   9 1
            8     9  10 2
            9    10   5 1
            10    8  11 1
            11    1   2 2
            12    2   3 1
            13    9  12 1
            14    7  13 1
            15   15  16 2
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 2
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   23  24 2
            24   24  25 1
            25   16  26 1
            26   14  15 1
            27   20  27 1
            28   24  28 1
            29   10  14 1

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