KEGG   COMPOUND: C10314
Entry
C10314                      Compound                               
Name
Chrysophanic acid 9-anthrone;
Chrysophanol anthrone;
Chrysarobin
Formula
C15H12O3
Exact mass
240.0786
Mol weight
240.254
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK13 Aromatic polyketides
   PK1304 Anthracenes and phenanthrenes
    C10314  Chrysophanic acid 9-anthrone
Phytochemical compounds [BR:br08003]
 Polyketides
  Anthraquinones
   Anthrone type
    C10314  Chrysarobin
Other DBs
CAS: 491-58-7
PubChem: 12500
ChEBI: 3686
LIPIDMAPS: LMPK13040005
KNApSAcK: C00002806
3DMET: B03733
NIKKAJI: J61.258H
KCF data

ATOM        18
            1   C8y C    29.4930  -18.3804
            2   C8y C    29.5046  -16.9809
            3   C1x C    28.2801  -19.0744
            4   C8x C    30.7000  -19.0861
            5   C5x C    28.2918  -16.2696
            6   C8y C    30.7234  -16.2870
            7   C8y C    27.0671  -18.3687
            8   C8y C    31.9188  -18.3980
            9   C8y C    27.0731  -16.9692
            10  O5x O    28.2975  -14.8701
            11  C8x C    31.9304  -17.0042
            12  O1a O    30.7350  -14.8875
            13  C8x C    25.8717  -19.0685
            14  C1a C    33.1259  -19.1094
            15  C8y C    25.8717  -16.2637
            16  C8x C    24.6532  -18.3687
            17  C8x C    24.6532  -16.9692
            18  O1a O    25.8717  -14.8642
BOND        20
            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     4   8 2
            8     5   9 1
            9     5  10 2
            10    6  11 2
            11    6  12 1
            12    7  13 1
            13    8  14 1
            14    9  15 1
            15   13  16 2
            16   15  17 2
            17   15  18 1
            18    7   9 2
            19    8  11 1
            20   16  17 1

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