KEGG   COMPOUND: C10315Help
Entry
C10315                      Compound                               

Name
Chrysophanol;
Chrysophanic acid;
1,8-Dihydroxy-3-methylanthraquinone
Formula
C15H10O4
Exact mass
254.0579
Mol weight
254.2375
Structure
Mol fileKCF fileDB search
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK13 Aromatic polyketides
   PK1304 Anthracenes and phenanthrenes
    C10315  Chrysophanol
Phytochemical compounds [BR:br08003]
 Polyketides
  Anthraquinones
   Anthraquinone type
    C10315  Chrysophanol
Major components of natural products [BR:br08323]
 Crude drugs
  Polygonum root
   C10315  Chrysophanol
BRITE hierarchy
Other DBs
CAS: 481-74-3
PubChem: 12501
ChEBI: 3687
ChEMBL: CHEMBL41092
LIPIDMAPS: LMPK13040006
KNApSAcK: C00000568
3DMET: B03734
NIKKAJI: J1.547D
KCF data Show

ATOM        19
            1   C8y C    29.5100  -17.6450
            2   C8y C    29.5217  -16.2463
            3   C5x C    28.2977  -18.3501
            4   C8x C    30.7104  -18.3618
            5   C5x C    28.3094  -15.5469
            6   C8y C    30.7397  -15.5644
            7   C8y C    27.0856  -17.6391
            8   O5x O    28.2920  -19.7488
            9   C8y C    31.9285  -17.6683
            10  C8y C    27.0913  -16.2404
            11  O5x O    28.2453  -14.1425
            12  C8x C    31.9461  -16.2696
            13  O1a O    30.7513  -14.1599
            14  C8x C    25.8909  -18.3444
            15  C1a C    33.1406  -18.3851
            16  C8y C    25.8909  -15.5412
            17  C8x C    24.6728  -17.6391
            18  C8x C    24.6728  -16.2404
            19  O1a O    25.8909  -14.1425
BOND        21
            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 2
            9     5  10 1
            10    5  11 2
            11    6  12 2
            12    6  13 1
            13    7  14 1
            14    9  15 1
            15   10  16 1
            16   14  17 2
            17   16  18 2
            18   16  19 1
            19    7  10 2
            20    9  12 1
            21   17  18 1

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