KEGG   COMPOUND: C09371Help
Entry
C09371                      Compound                               

Name
Capaurine
Formula
C21H25NO5
Exact mass
371.1733
Mol weight
371.4269
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C09371  Capaurine
BRITE hierarchy
Other DBs
CAS: 478-14-8
PubChem: 11562
ChEBI: 3366
ChEMBL: CHEMBL478775
KNApSAcK: C00001829
3DMET: B02905
NIKKAJI: J31.875B
KCF data Show

ATOM        27
            1   C8y C    25.5024  -16.3520
            2   C1y C    26.7164  -17.0581
            3   C8y C    25.5083  -14.9513
            4   C8y C    24.2943  -17.0524
            5   N1y N    27.9302  -16.3578
            6   C1x C    26.7164  -18.4588
            7   C8x C    24.2943  -14.2451
            8   C1x C    26.7281  -14.2510
            9   C8y C    23.0747  -16.3520
            10  O1a O    24.2826  -18.4530
            11  C1x C    29.1442  -17.0581
            12  C1x C    27.9361  -14.9571
            13  C8y C    27.9361  -19.1534
            14  C8y C    23.0747  -14.9454
            15  O2a O    21.8666  -17.0524
            16  C8y C    29.1442  -18.4588
            17  C8x C    27.9302  -20.5481
            18  O2a O    21.8607  -14.2393
            19  C1a C    20.6585  -16.3520
            20  C8y C    30.3523  -19.1651
            21  C8x C    29.1383  -21.2485
            22  C1a C    20.6469  -14.9337
            23  C8y C    30.3464  -20.5598
            24  O2a O    31.5485  -18.4530
            25  O2a O    31.5485  -21.2542
            26  C1a C    32.7625  -19.1534
            27  C1a C    32.7625  -20.5539
BOND        30
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14    9  15 1
            15   11  16 1
            16   13  17 1
            17   14  18 1
            18   15  19 1
            19   16  20 1
            20   17  21 2
            21   18  22 1
            22   20  23 2
            23   20  24 1
            24   23  25 1
            25   24  26 1
            26   25  27 1
            27    8  12 1
            28    9  14 2
            29   13  16 2
            30   21  23 1

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