KEGG   COMPOUND: C09084
Entry
C09084                      Compound                               
Name
Brucine
Formula
C23H26N2O4
Exact mass
394.1893
Mol weight
394.46
Structure
Reaction
Pathway
map00901  Indole alkaloid biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Indole alkaloids
    C09084  Brucine
Natural toxins [BR:br08009]
 Phytotoxins
  Alkaloids
   Indole alkaloids
    C09084  Brucine
Secondary metabolites in pathway maps [br08011.html]
 Biosynthetic pathways and modules of secondary metabolites
  C09084
Other DBs
CAS: 357-57-3
PubChem: 11276
ChEBI: 3193
KNApSAcK: C00001695
NIKKAJI: J5.693F
LinkDB
KCF data

ATOM        29
            1   C8y C    31.9948  -29.7600
            2   C8x C    33.2149  -30.3714
            3   C8y C    34.3255  -29.6667
            4   C8y C    32.0121  -28.4476
            5   C8x C    33.1219  -27.7534
            6   C8y C    34.2790  -28.3577
            7   C1y C    36.3853  -28.8363
            8   C1z C    35.5072  -27.7850
            9   N1y N    35.6580  -30.0038
            10  C1x C    37.9878  -25.3140
            11  C5x C    36.6285  -31.0827
            12  C1x C    37.9246  -30.9494
            13  C1y C    38.4540  -29.7507
            14  O5x O    36.0622  -32.3423
            15  C1x C    37.4290  -26.4431
            16  C1y C    36.1341  -26.5922
            17  C1y C    37.6882  -28.6855
            18  C1y C    38.1959  -27.4971
            19  C2y C    39.4547  -27.1557
            20  C2x C    40.4986  -27.9125
            21  O2x O    39.5722  -30.0665
            22  C1x C    40.5503  -29.2054
            23  N1y N    35.3675  -25.5494
            24  O2a O    30.8203  -27.7590
            25  C1a C    29.6367  -28.4424
            26  O2a O    30.9613  -30.4501
            27  C1a C    29.8129  -29.8442
            28  C1x C    34.0327  -25.8992
            29  C1x C    33.6805  -27.2235
BOND        35
            1    15  16 1
            2    16   8 1
            3     7   8 1
            4     8   6 1
            5    17  18 1
            6     3   9 1
            7    18  19 1
            8     9   7 1
            9    19  20 2
            10    3   6 2
            11    5   4 2
            12   20  22 1
            13   21  22 1
            14   13  21 1
            15    4   1 1
            16   16  23 1
            17   10  19 1
            18   23  10 1
            19    9  11 1
            20    4  24 1
            21   11  12 1
            22   24  25 1
            23   12  13 1
            24    1  26 1
            25    5   6 1
            26   26  27 1
            27   13  17 1
            28   11  14 2
            29    1   2 2
            30    2   3 1
            31   23  28 1
            32    7  17 1
            33   28  29 1
            34    8  29 1 #Up
            35   18  15 1

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