KEGG   COMPOUND: C09131Help
Entry
C09131                      Compound                               

Name
Chanoclavine-I
Formula
C16H20N2O
Exact mass
256.1576
Mol weight
256.3428
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00901  Indole alkaloid biosynthesis
map01130  Biosynthesis of antibiotics
Enzyme
Other DBs
CAS: 2390-99-0
PubChem: 11323
ChEBI: 3576
KNApSAcK: C00001707 C00038732
3DMET: B02706
NIKKAJI: J10.335G
KCF data Show

ATOM        19
            1   C8y C    28.0333  -22.2266
            2   C8x C    27.9676  -23.5864
            3   N4x N    25.6997  -23.5935
            4   C8y C    25.6956  -22.2337
            5   C8y C    26.8695  -21.5465
            6   C1y C    29.1976  -20.1919
            7   N1b N    30.3665  -19.5086
            8   C1a C    31.5361  -20.1780
            9   C1y C    28.0215  -19.5206
            10  C2b C    28.0179  -18.1694
            11  C2c C    29.1877  -17.4929
            12  C1b C    29.1877  -16.1469
            13  C1a C    30.3575  -18.1623
            14  C8x C    24.5124  -21.5552
            15  C8x C    24.5124  -20.2022
            16  C8x C    25.6885  -19.5257
            17  C8y C    26.8514  -20.2022
            18  C1x C    29.2035  -21.5448
            19  O1a O    30.3542  -15.4528
BOND        21
            1     2   3 1
            2    10  11 2
            3     1   2 2
            4    11  12 1
            5    11  13 1
            6     6   7 1 #Down
            7     3   4 1
            8     7   8 1
            9    14  15 2
            10   15  16 1
            11   16  17 2
            12    4  14 1
            13    4   5 2
            14    5   1 1
            15    5  17 1
            16   17   9 1
            17    9   6 1
            18    6  18 1
            19   18   1 1
            20    9  10 1 #Up
            21   12  19 1

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