KEGG   COMPOUND: C10740Help
Entry
C10740                      Compound                               

Name
Skimmianine
Formula
C14H13NO4
Exact mass
259.0845
Mol weight
259.2573
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01063  Biosynthesis of alkaloids derived from shikimate pathway
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Quinoline alkaloids
    C10740  Skimmianine
BRITE hierarchy
Other DBs
CAS: 83-95-4
PubChem: 12923
ChEBI: 9172
ChEMBL: CHEMBL21396
KNApSAcK: C00002198
3DMET: B04106
NIKKAJI: J4.887I
KCF data Show

ATOM        19
            1   N5x N    28.0075  -19.1424
            2   C8y C    28.0075  -16.3382
            3   C8y C    26.7964  -17.0357
            4   C8y C    26.8023  -18.4379
            5   C8y C    25.5971  -19.1477
            6   C8y C    24.3789  -18.4482
            7   C8x C    24.3730  -17.0460
            8   C8x C    25.5853  -16.3434
            9   C8y C    29.2255  -18.4379
            10  C8y C    29.2288  -17.0352
            11  C8x C    30.5642  -16.6070
            12  C8x C    31.3887  -17.7451
            13  O2x O    30.5589  -18.8793
            14  O2a O    25.6040  -20.5375
            15  C1a C    26.8089  -21.2281
            16  O2a O    28.0137  -14.9431
            17  C1a C    26.8018  -14.2384
            18  O2a O    23.1732  -19.1424
            19  C1a C    21.9612  -18.4379
BOND        21
            1     9   1 2
            2     1   4 1
            3     3   2 1
            4     2  10 2
            5     9  10 1
            6    10  11 1
            7    11  12 2
            8    12  13 1
            9    13   9 1
            10    3   4 2
            11    5  14 1
            12    4   5 1
            13   14  15 1
            14    5   6 2
            15    2  16 1
            16    6   7 1
            17   16  17 1
            18    7   8 2
            19    6  18 1
            20    8   3 1
            21   18  19 1

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