KEGG   COMPOUND: C10714Help
Entry
C10714                      Compound                               

Name
Maculine;
1,3-Dioxolo(4,5-g)furo(2,3-b)quinoline, 9-methoxy-
Formula
C13H9NO4
Exact mass
243.0532
Mol weight
243.2149
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Quinoline alkaloids
    C10714  Maculine
BRITE hierarchy
Other DBs
CAS: 524-89-0
PubChem: 12897
ChEBI: 6629
ChEMBL: CHEMBL503675
KNApSAcK: C00002183
3DMET: B04084
NIKKAJI: J11.719F
KCF data Show

ATOM        18
            1   C8x C    25.5181  -20.1358
            2   C8x C    25.5181  -17.3371
            3   C8y C    26.7257  -18.0368
            4   C8y C    26.7196  -19.4361
            5   N5x N    27.9285  -20.1408
            6   C8y C    27.9405  -17.3422
            7   C8y C    24.3033  -19.4361
            8   C8y C    24.3001  -18.0363
            9   O2x O    22.9678  -17.6068
            10  C1x C    22.1477  -18.7412
            11  O2x O    22.9730  -19.8717
            12  C8y C    29.1494  -18.0471
            13  C8y C    29.1466  -19.4505
            14  O2x O    30.4808  -19.8868
            15  C8x C    31.3077  -18.7529
            16  C8x C    30.4849  -17.6158
            17  O2a O    27.9429  -15.9448
            18  C1a C    26.7344  -15.2451
BOND        21
            1     7   1 2
            2     1   4 1
            3     3   2 1
            4     7   8 1
            5     8   9 1
            6     9  10 1
            7    10  11 1
            8    11   7 1
            9     3   4 2
            10    4   5 1
            11    5  13 2
            12   12   6 2
            13    6   3 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 2
            18   16  12 1
            19    2   8 2
            20    6  17 1
            21   17  18 1

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