KEGG   COMPOUND: C17810
Entry
C17810                      Compound                               

Name
Citreorosein;
omega-Hydroxyemodin
Formula
C15H10O6
Exact mass
286.0477
Mol weight
286.2363
Structure
Other DBs
CAS: 481-73-2
PubChem: 96024115
ChEBI: 81348
ChEMBL: CHEMBL290932
KNApSAcK: C00032090
NIKKAJI: J13.188A
KCF data

ATOM        21
            1   C8y C    19.3200  -23.5200
            2   C8x C    19.3200  -22.1200
            3   C8y C    20.5100  -21.4200
            4   C8y C    21.7700  -22.1200
            5   C8y C    21.7700  -23.5200
            6   C8x C    20.5100  -24.2200
            7   C5x C    22.9600  -21.4200
            8   C8y C    24.1500  -22.1200
            9   C8y C    24.1500  -23.5200
            10  C5x C    22.9600  -24.2200
            11  C8y C    25.4100  -21.4200
            12  C8x C    26.6000  -22.1200
            13  C8y C    26.6000  -23.5200
            14  C8x C    25.4100  -24.2200
            15  O5x O    22.9600  -25.6200
            16  O5x O    22.9600  -20.0200
            17  C1b C    27.7900  -24.2200
            18  O1a O    29.0500  -23.5200
            19  O1a O    25.4100  -20.0200
            20  O1a O    20.5100  -20.0200
            21  O1a O    18.1300  -24.2200
BOND        23
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    5  10 1
            12    8  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16    9  14 1
            17   10  15 2
            18    7  16 2
            19   13  17 1
            20   17  18 1
            21   11  19 1
            22    3  20 1
            23    1  21 1

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