KEGG   COMPOUND: C10713Help
Entry
C10713                      Compound                               

Name
Lunamarine
Formula
C18H15NO4
Exact mass
309.1001
Mol weight
309.316
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Quinoline alkaloids
    C10713  Lunamarine
BRITE hierarchy
Other DBs
CAS: 483-52-3
PubChem: 12896
ChEBI: 6565
KNApSAcK: C00002182
3DMET: B04083
NIKKAJI: J2.775.297G
LinkDB All DBs
KCF data Show

ATOM        23
            1   C8x C    29.8490  -20.8638
            2   C8x C    28.6440  -20.1657
            3   C8y C    28.6440  -18.7626
            4   C8x C    29.8490  -18.0574
            5   C8y C    31.0680  -20.1657
            6   C8y C    31.0615  -18.7670
            7   O2x O    32.3902  -18.3238
            8   C1x C    33.2203  -19.4529
            9   O2x O    32.4005  -20.5897
            10  C8y C    27.4293  -18.0600
            11  N4y N    26.2137  -18.7660
            12  C8y C    26.2116  -15.9596
            13  C8x C    27.4283  -16.6567
            14  C8y C    24.9960  -16.6586
            15  C8y C    25.0045  -18.0569
            16  C8x C    23.7967  -18.7670
            17  C8y C    22.5804  -18.0717
            18  C8x C    22.6419  -16.6733
            19  C8x C    23.7798  -15.9701
            20  O5x O    26.1537  -14.5530
            21  C1a C    26.2237  -20.1657
            22  O2a O    21.3794  -18.7696
            23  C1a C    20.1736  -18.0786
BOND        26
            1     1   2 1
            2    10  11 1
            3    11  15 1
            4    14  12 1
            5    12  13 1
            6    13  10 2
            7     3  10 1
            8     2   3 2
            9     3   4 1
            10    5   6 1
            11    6   7 1
            12    7   8 1
            13    8   9 1
            14   14  15 2
            15   15  16 1
            16   16  17 2
            17   17  18 1
            18   18  19 2
            19   19  14 1
            20    9   5 1
            21   12  20 2
            22    4   6 2
            23   11  21 1
            24   17  22 1
            25    5   1 2
            26   22  23 1

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