KEGG   COMPOUND: C09438Help
Entry
C09438                      Compound                               

Name
Fagaronine
Formula
C21H20NO4
Exact mass
350.1392
Mol weight
350.3878
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C09438  Fagaronine
BRITE hierarchy
Other DBs
CAS: 52259-65-1
PubChem: 11629
ChEBI: 28954
ChEMBL: CHEMBL121087
KNApSAcK: C00001857
3DMET: B02967
NIKKAJI: J34.247E
LinkDB All DBs
KCF data Show

ATOM        26
            1   C8y C    26.1224  -17.3261
            2   C8y C    27.3276  -18.0421
            3   C8y C    24.8999  -18.0131
            4   C8x C    26.1400  -15.9289
            5   C8y C    28.5502  -17.3552
            6   N5y N    27.3218  -19.4510 #+
            7   C8y C    24.9466  -19.4218
            8   C8x C    23.6889  -17.3086
            9   C8x C    27.3568  -15.2477
            10  C8y C    28.5617  -15.9638
            11  C8x C    29.7378  -18.0654
            12  C8x C    26.0991  -20.1380
            13  C1a C    28.5327  -20.1496
            14  C8x C    23.6715  -20.1321
            15  C8y C    22.4664  -18.0072
            16  C8x C    29.7727  -15.2769
            17  C8y C    30.9545  -17.3785
            18  C8y C    22.4548  -19.4161
            19  O2a O    21.2613  -17.3028
            20  C8y C    30.9719  -15.9870
            21  O2a O    32.1654  -18.0712
            22  O2a O    21.2323  -20.0971
            23  C1a C    20.0446  -17.9839
            24  O1a O    32.1770  -15.2769
            25  C1a C    33.3764  -17.3725
            26  C1a C    20.0272  -19.3752
BOND        29
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     5  10 2
            10    5  11 1
            11    6  12 2
            12    6  13 1
            13    7  14 1
            14    8  15 2
            15   10  16 1
            16   11  17 2
            17   14  18 2
            18   15  19 1
            19   16  20 2
            20   17  21 1
            21   18  22 1
            22   19  23 1
            23   20  24 1
            24   21  25 1
            25   22  26 1
            26    7  12 1
            27    9  10 1
            28   15  18 1
            29   17  20 1

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