KEGG   COMPOUND: C07606Help
Entry
C07606                      Compound                               

Name
Hypericin
Formula
C30H16O8
Exact mass
504.0845
Mol weight
504.4432
Structure
Mol fileKCF fileDB search
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK13 Aromatic polyketides
   PK1304 Anthracenes and phenanthrenes
    C07606  Hypericin
Phytochemical compounds [BR:br08003]
 Polyketides
  Anthraquinones
   Anthrone type
    C07606  Hypericin
Major components of natural products [BR:br08323]
 Medicinal herbs
  St. John's wort
   C07606  Hypericin
BRITE hierarchy
Other DBs
CAS: 548-04-9
PubChem: 9808
ChEBI: 5835
ChEMBL: CHEMBL286494
LIPIDMAPS: LMPK13040001
KNApSAcK: C00002829
3DMET: B02132
NIKKAJI: J6.443B
LinkDB All DBs
KCF data Show

ATOM        38
            1   C8y C    26.6817  -17.0089
            2   C8y C    26.6583  -18.3703
            3   C8y C    25.4606  -16.3077
            4   C8y C    27.8852  -16.3194
            5   C8y C    25.4489  -19.0889
            6   C8y C    27.8794  -19.1063
            7   C8y C    24.2394  -17.0089
            8   C8y C    25.4548  -14.9055
            9   C8y C    29.0306  -17.0206
            10  C8y C    27.8852  -14.9172
            11  C8y C    24.2454  -18.4052
            12  C8y C    25.4665  -20.4911
            13  C8y C    29.0830  -18.4111
            14  C8y C    27.8735  -20.5145
            15  C8y C    23.0300  -16.3077
            16  C5x C    26.6758  -14.2043
            17  C8y C    24.2454  -14.1986
            18  C8y C    30.3100  -16.3370
            19  C8y C    29.1123  -14.2220
            20  C8y C    23.0417  -19.1240
            21  C5x C    26.6700  -21.1863
            22  C8y C    24.2628  -21.2214
            23  C8y C    30.2866  -19.1123
            24  C8y C    29.0772  -21.1923
            25  C8x C    23.0300  -14.9055
            26  C1a C    21.8088  -17.0148
            27  O5x O    26.6875  -12.8021
            28  O1a O    24.2454  -12.7963
            29  C8x C    30.3217  -14.9405
            30  O1a O    31.5195  -17.0497
            31  O1a O    29.1297  -12.8197
            32  C8x C    23.0300  -20.5262
            33  C1a C    21.8148  -18.4169
            34  O5x O    26.6583  -22.5945
            35  O1a O    24.2862  -22.6237
            36  C8x C    30.2807  -20.5028
            37  O1a O    31.5018  -18.4111
            38  O1a O    29.0772  -22.5945
BOND        45
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    5  12 2
            12    6  13 1
            13    6  14 2
            14    7  15 2
            15    8  16 1
            16    8  17 1
            17    9  18 2
            18   10  19 1
            19   11  20 2
            20   12  21 1
            21   12  22 1
            22   13  23 2
            23   14  24 1
            24   15  25 1
            25   15  26 1
            26   16  27 2
            27   17  28 1
            28   18  29 1
            29   18  30 1
            30   19  31 1
            31   20  32 1
            32   20  33 1
            33   21  34 2
            34   22  35 1
            35   23  36 1
            36   23  37 1
            37   24  38 1
            38    7  11 1
            39    9  13 1
            40   10  16 1
            41   14  21 1
            42   17  25 2
            43   19  29 2
            44   22  32 2
            45   24  36 2

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