KEGG   COMPOUND: C10662
Entry
C10662                      Compound                               
Name
Dubinidine
Formula
C15H17NO4
Exact mass
275.1158
Mol weight
275.2998
Structure
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Quinoline alkaloids
    C10662  Dubinidine
Other DBs
CAS: 22964-77-8
PubChem: 12845
ChEBI: 4722
KNApSAcK: C00002153
3DMET: B05461
NIKKAJI: J2.774.582B
KCF data

ATOM        20
            1   N5x N    25.0408  -20.1666
            2   C8y C    25.0408  -17.3629
            3   C8y C    23.8299  -18.0603
            4   C8y C    23.7658  -19.4623
            5   C8x C    22.6239  -20.1719
            6   C8x C    21.4059  -19.4726
            7   C8x C    21.3998  -18.0706
            8   C8x C    22.6119  -17.3681
            9   C8y C    26.2586  -19.4623
            10  C8y C    26.2594  -18.0673
            11  C1x C    27.5868  -17.6390
            12  C1y C    28.4018  -18.7696
            13  O2x O    27.5855  -19.8990
            14  O2a O    25.0470  -15.9681
            15  C1a C    23.8353  -15.2566
            16  C1d C    29.8091  -18.7577
            17  O1a O    31.2110  -18.7577
            18  C1b C    30.5207  -19.9695
            19  C1a C    30.5207  -17.5391
            20  O1a O    31.9154  -19.9592
BOND        22
            1     9  10 1
            2    10  11 1
            3    11  12 1
            4    12  13 1
            5    13   9 1
            6     4   5 1
            7     2  14 1
            8     5   6 2
            9     6   7 1
            10    2  10 2
            11    7   8 2
            12    8   3 1
            13   14  15 1
            14    1   4 1
            15   12  16 1
            16    3   2 1
            17   16  17 1
            18   16  18 1
            19    9   1 2
            20   16  19 1
            21    3   4 2
            22   18  20 1

» Japanese version

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Chemical substance (5)   
   PubChem (1)   
   ChEBI (1)   
   3DMET (1)   
   KNApSAcK (1)   
   NIKKAJI (1)   
All databases (5)   

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