KEGG   COMPOUND: C09023
Entry
C09023                      Compound                               

Name
Agroclavine
Formula
C16H18N2
Exact mass
238.147
Mol weight
238.3275
Structure
Reaction
Pathway
map00901  Indole alkaloid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Indole alkaloids
    C09023  Agroclavine
Natural toxins [BR:br08009]
 Fungal toxins
  Mycotoxins
   Ergot alkaloids
    C09023  Agroclavine
Other DBs
CAS: 548-42-5
PubChem: 11215
ChEBI: 2519
ChEMBL: CHEMBL449081 CHEMBL481772
KNApSAcK: C00001677
3DMET: B02621
NIKKAJI: J6.445I
KCF data

ATOM        18
            1   C8y C    27.6961  -18.6350
            2   C8y C    27.7018  -17.2772
            3   C8y C    28.8705  -19.3234
            4   C8y C    26.5215  -19.3175
            5   C1y C    28.8822  -16.6062
            6   C8x C    26.5274  -16.6005
            7   C1x C    30.0508  -18.6538
            8   C8x C    28.8705  -20.6242
            9   N4x N    26.5157  -20.6766
            10  C8x C    25.3587  -18.6350
            11  C1y C    30.0508  -17.2946
            12  C2x C    28.8938  -15.2601
            13  C8x C    25.3587  -17.2772
            14  N1y N    31.2383  -16.6367
            15  C2y C    30.0813  -14.5834
            16  C1x C    31.2500  -15.2775
            17  C1a C    32.3951  -17.3005
            18  C1a C    30.0754  -13.2254
BOND        21
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13   11  14 1
            14   12  15 2
            15   14  16 1
            16   14  17 1
            17   15  18 1
            18    7  11 1
            19    8   9 1
            20   10  13 2
            21   15  16 1

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