KEGG   COMPOUND: C09044Help
Entry
C09044                      Compound                               

Name
Quinquangulin
Formula
C16H14O5
Exact mass
286.0841
Mol weight
286.2794
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Polyketides
  Pyrones
   Naphthopyrones
    C09044  Quinquangulin
BRITE hierarchy
Other DBs
CAS: 64894-58-2
PubChem: 11236
ChEBI: 8731
ChEMBL: CHEMBL465319
KNApSAcK: C00002444
3DMET: B02638
NIKKAJI: J610.457F
KCF data Show

ATOM        21
            1   C8y C    24.3123  -16.9893
            2   C8y C    24.2772  -15.5985
            3   C8y C    25.5278  -17.6554
            4   C8y C    23.1084  -17.7256
            5   C8x C    25.4635  -14.8680
            6   C8y C    23.0384  -14.9205
            7   C8y C    26.6500  -16.9308
            8   O1a O    25.5687  -19.0637
            9   C8x C    21.8055  -17.0651
            10  O1a O    23.0794  -19.1339
            11  C8y C    26.6849  -15.5400
            12  C8y C    21.8404  -15.6568
            13  C8y C    27.9354  -17.5912
            14  O2x O    27.8769  -14.8153
            15  O2a O    20.6074  -14.9848
            16  C8x C    29.1217  -16.8782
            17  O5x O    27.9648  -18.9995
            18  C8y C    29.0926  -15.4874
            19  C1a C    19.4034  -15.7211
            20  C1a C    30.2963  -14.7568
            21  C1a C    23.0029  -13.5015
BOND        23
            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     4  10 1
            10    5  11 2
            11    6  12 2
            12    7  13 1
            13   11  14 1
            14   12  15 1
            15   13  16 1
            16   13  17 2
            17   14  18 1
            18   15  19 1
            19   18  20 1
            20    7  11 1
            21    9  12 1
            22   16  18 2
            23    6  21 1

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