KEGG   COMPOUND: C10397
Entry
C10397                      Compound                               
Name
Purpurin 1-methyl ether
Formula
C15H10O5
Exact mass
270.0528
Mol weight
270.2369
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK13 Aromatic polyketides
   PK1304 Anthracenes and phenanthrenes
    C10397  Purpurin 1-methyl ether
Phytochemical compounds [BR:br08003]
 Polyketides
  Anthraquinones
   Anthraquinone type
    C10397  Purpurin 1-methyl ether
Other DBs
CAS: 94099-66-8
PubChem: 12583
ChEBI: 8646
KNApSAcK: C00002858
3DMET: B03810
NIKKAJI: J385.407H
LinkDB
KCF data

ATOM        20
            1   C8y C    24.4880  -16.5552
            2   C8y C    24.4763  -17.9545
            3   C5x C    23.2754  -15.8439
            4   C8y C    25.7065  -15.8615
            5   C5x C    23.2637  -18.6483
            6   C8y C    25.6832  -18.6600
            7   C8y C    22.0568  -16.5435
            8   O5x O    23.2811  -14.4448
            9   C8y C    26.9133  -16.5785
            10  O2a O    25.7182  -14.4622
            11  C8y C    22.0511  -17.9428
            12  O5x O    23.2637  -20.0476
            13  C8x C    26.9017  -17.9720
            14  O1a O    25.6657  -20.0593
            15  C8x C    20.8559  -15.8381
            16  O1a O    28.1319  -15.8848
            17  C1a C    26.9426  -13.7742
            18  C8x C    20.8559  -18.6424
            19  C8x C    19.6374  -16.5435
            20  C8x C    19.6374  -17.9428
BOND        22
            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   10  17 1
            17   11  18 1
            18   15  19 2
            19   18  20 2
            20    7  11 2
            21    9  13 1
            22   19  20 1

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