KEGG   COMPOUND: C08727Help
Entry
C08727                      Compound                               

Name
Petunidin;
Petunidin chloride
Formula
C16H13O7. Cl
Exact mass
352.035
Mol weight
352.7232
Structure
Mol fileKCF fileDB search
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1201 Anthocyanidins
    C08727  Petunidin
BRITE hierarchy
Other DBs
CAS: 1429-30-7
PubChem: 10920
ChEBI: 75035 75318
LIPIDMAPS: LMPK12010005
3DMET: B02359
NIKKAJI: J300.686G
LinkDB All DBs
KCF data Show

ATOM        24
            1   C8y C    26.0677  -17.1975
            2   C8y C    24.8501  -17.8848
            3   C8x C    27.2736  -17.9024
            4   C8x C    26.0677  -15.7993
            5   O2x O    23.6384  -17.1859 #+
            6   C8y C    24.8444  -19.2889
            7   C8y C    28.4912  -17.2090
            8   C8y C    27.2853  -15.1002
            9   C8y C    22.4208  -17.8790
            10  C8x C    23.6268  -19.9880
            11  O1a O    26.0560  -19.9996
            12  C8y C    28.4969  -15.8110
            13  O2a O    29.6971  -17.9140
            14  O1a O    27.2910  -13.6961
            15  C8y C    22.4149  -19.2772
            16  C8x C    21.2090  -17.1800
            17  O1a O    29.7088  -15.1119
            18  C1a C    30.9088  -17.2207
            19  C8y C    21.2090  -19.9821
            20  C8y C    20.0031  -17.8790
            21  C8x C    20.0031  -19.2772
            22  O1a O    21.2149  -21.3803
            23  O1a O    18.7855  -17.1800
            24  X   Cl   22.8200  -15.2600 #-
BOND        25
            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     5   9 1
            9     6  10 2
            10    6  11 1
            11    7  12 2
            12    7  13 1
            13    8  14 1
            14    9  15 2
            15    9  16 1
            16   12  17 1
            17   13  18 1
            18   15  19 1
            19   16  20 2
            20   19  21 2
            21   19  22 1
            22   20  23 1
            23    8  12 1
            24   10  15 1
            25   20  21 1

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