KEGG   COMPOUND: C08726Help
Entry
C08726                      Compound                               

Name
Peonidin;
3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride
Formula
C16H13O6. Cl
Exact mass
336.0401
Mol weight
336.7238
Structure
Mol fileKCF fileDB search
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1201 Anthocyanidins
    C08726  Peonidin
BRITE hierarchy
Other DBs
CAS: 134-01-0
PubChem: 10919
ChEBI: 75033 75314
ChEMBL: CHEMBL589665
LIPIDMAPS: LMPK12010006
3DMET: B02358
NIKKAJI: J244.796G
LinkDB All DBs
KCF data Show

ATOM        23
            1   C8y C    24.8908  -17.1500
            2   C8y C    26.1096  -16.4502
            3   O2x O    23.6779  -16.4445 #+
            4   C8y C    24.8850  -18.5553
            5   C8x C    27.3167  -17.1617
            6   C8x C    26.1096  -15.0506
            7   C8y C    22.4591  -17.1383
            8   C8x C    23.6662  -19.2435
            9   O1a O    26.0862  -19.2551
            10  C8y C    28.5355  -16.4619
            11  C8x C    27.3284  -14.3508
            12  C8y C    22.4532  -18.5437
            13  C8x C    21.2460  -16.4385
            14  C8y C    28.5413  -15.0565
            15  O2a O    29.7426  -17.1617
            16  C8y C    21.2460  -19.2435
            17  C8y C    20.0391  -17.1383
            18  O1a O    29.7484  -14.3625
            19  C1a C    30.9555  -16.4678
            20  C8x C    20.0391  -18.5437
            21  O1a O    21.2520  -20.6373
            22  O1a O    18.8260  -16.4445
            23  X   Cl   23.7300  -13.5800 #-
BOND        24
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     4   9 1
            9     5  10 1
            10    6  11 2
            11    7  12 2
            12    7  13 1
            13   10  14 2
            14   10  15 1
            15   12  16 1
            16   13  17 2
            17   14  18 1
            18   15  19 1
            19   16  20 2
            20   16  21 1
            21   17  22 1
            22    8  12 1
            23   11  14 1
            24   17  20 1

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