KEGG   COMPOUND: C10395Help
Entry
C10395                      Compound                               

Name
Purpurin
Formula
C14H8O5
Exact mass
256.0372
Mol weight
256.2103
Structure
Mol fileKCF fileDB search
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1214 Flavanones
    C10395  Purpurin
Phytochemical compounds [BR:br08003]
 Polyketides
  Anthraquinones
   Anthraquinone type
    C10395  Purpurin
BRITE hierarchy
Other DBs
CAS: 81-54-9
PubChem: 12581
ChEBI: 8645
ChEMBL: CHEMBL294264
KNApSAcK: C00002857
3DMET: B03808
NIKKAJI: J3.859H
LinkDB All DBs
KCF data Show

ATOM        19
            1   C8y C    24.5052  -16.2405
            2   C8y C    24.4936  -17.6394
            3   C5x C    23.2929  -15.5351
            4   C8y C    25.7235  -15.5527
            5   C5x C    23.2812  -18.3389
            6   C8y C    25.7001  -18.3506
            7   C8y C    22.0747  -16.2288
            8   O5x O    23.2986  -14.1364
            9   C8y C    26.9300  -16.2638
            10  O1a O    25.6651  -14.1538
            11  C8y C    22.0689  -17.6335
            12  O5x O    23.2812  -19.7436
            13  C8x C    26.9184  -17.6569
            14  O1a O    25.6885  -19.7553
            15  C8x C    20.8740  -15.5294
            16  O1a O    28.1483  -15.5760
            17  C8x C    20.8740  -18.3330
            18  C8x C    19.6558  -16.2288
            19  C8x C    19.6558  -17.6335
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     4  10 1
            10    5  11 1
            11    5  12 2
            12    6  13 2
            13    6  14 1
            14    7  15 1
            15    9  16 1
            16   11  17 1
            17   15  18 2
            18   17  19 2
            19    7  11 2
            20    9  13 1
            21   18  19 1

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