KEGG   COMPOUND: C17045Help
Entry
C17045                      Compound                               

Name
Physcion;
Emodin monomethyl ether;
Rheochrysidin;
Parienin
Formula
C16H12O5
Exact mass
284.0685
Mol weight
284.2635
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Polyketides
  Anthraquinones
   Anthraquinone type
    C17045  Physcion
BRITE hierarchy
Other DBs
CAS: 521-61-9
PubChem: 96023523
ChEBI: 38167
ChEMBL: CHEMBL42624
KNApSAcK: C00019420
NIKKAJI: J11.586J
LinkDB All DBs
KCF data Show

ATOM        21
            1   C8x C    23.8000  -24.0800
            2   C8y C    23.8000  -25.4800
            3   C8x C    25.0124  -26.1800
            4   C8y C    26.2249  -25.4800
            5   C8y C    26.2249  -24.0800
            6   C8y C    25.0124  -23.3800
            7   C5x C    27.4373  -26.1800
            8   C8y C    28.6497  -25.4800
            9   C8y C    28.6497  -24.0800
            10  C5x C    27.4373  -23.3800
            11  C8x C    29.8622  -26.1800
            12  C8y C    31.0746  -25.4800
            13  C8x C    31.0746  -24.0800
            14  C8y C    29.8622  -23.3800
            15  O1a O    25.0124  -21.9802
            16  O2a O    22.5876  -26.1800
            17  C1a C    21.3921  -25.4896
            18  O5x O    27.4373  -21.9800
            19  O5x O    27.4373  -27.5800
            20  O1a O    29.8622  -21.9803
            21  C1a C    32.2911  -26.1823
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 1
            10    9  10 1
            11    5  10 1
            12    8  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16    9  14 2
            17    6  15 1
            18    2  16 1
            19   16  17 1
            20   10  18 2
            21    7  19 2
            22   14  20 1
            23   12  21 1

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