KEGG   COMPOUND: C16369
Entry
C16369                      Compound                               
Name
Cyanidin 3-(6-p-caffeoyl)glucoside
Formula
C30H27O14
Exact mass
611.1401
Mol weight
611.527
Structure
Reaction
Pathway
map00942  Anthocyanin biosynthesis
Enzyme
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1201 Anthocyanidins
    C16369  Cyanidin 3-(6-p-caffeoyl)glucoside
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Anthocyanidins and anthocyanins
    C16369  Cyanidin 3-(6-p-caffeoyl)glucoside
Glycosides [BR:br08021]
 O-glycosides
  Anthocyanin glycosides
   Glycosylated cyanidin
    C16369  Cyanidin 3-(6-p-caffeoyl)glucoside
Other DBs
PubChem: 47205677
ChEBI: 80476
LIPIDMAPS: LMPK12010140
KNApSAcK: C00006801
NIKKAJI: J2.802.462B
LinkDB
KCF data

ATOM        44
            1   C8y C    10.0100  -16.5200
            2   C8y C    10.0100  -15.1200
            3   C8x C     8.8200  -14.4200
            4   C8y C     7.5600  -15.1200
            5   C8x C     7.5600  -16.5200
            6   C8y C     8.8200  -17.2200
            7   C8x C    11.1300  -17.2200
            8   C8y C    12.3900  -16.5200
            9   C8y C    12.3900  -15.1200
            10  O2x O    11.1300  -14.4200 #+
            11  O1a O     8.8200  -18.6200
            12  O1a O     6.3700  -14.4200
            13  C8y C    13.5800  -14.4200
            14  C8x C    14.7700  -15.1200
            15  C8y C    16.1000  -14.4200
            16  C8y C    16.1000  -13.0200
            17  C8x C    14.8400  -12.3200
            18  C8x C    13.5800  -13.0200
            19  O1a O    17.2900  -12.3200
            20  O2a O    13.5800  -17.2200
            21  C1y C    14.7700  -17.9200
            22  C1y C    14.7700  -19.3200
            23  C1y C    15.9600  -20.0200
            24  C1y C    17.2200  -19.3200
            25  C1y C    17.2200  -17.9200
            26  O2x O    15.9600  -17.2200
            27  C1b C    18.4100  -17.2200
            28  O1a O    15.9600  -21.4200
            29  O1a O    13.5100  -20.0200
            30  O1a O    18.4100  -20.0200
            31  O7a O    19.5300  -17.9200
            32  C7a C    20.7200  -17.2900
            33  C2b C    21.9100  -17.9900
            34  C2b C    23.1700  -17.2900
            35  C8y C    24.3600  -17.9900
            36  O6a O    20.7200  -15.8900
            37  C8x C    24.3600  -19.3200
            38  C8x C    25.5500  -20.0200
            39  C8y C    26.7400  -19.3200
            40  C8y C    26.7400  -17.9900
            41  C8x C    25.5500  -17.2900
            42  O1a O    28.0000  -20.0200
            43  O1a O    17.2985  -15.1436
            44  O1a O    27.9553  -17.2949
BOND        48
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     1   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    2  10 1
            12    6  11 1
            13    4  12 1
            14    9  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   13  18 1
            21   16  19 1
            22    8  20 1
            23   21  20 1 #Down
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   21  26 1
            30   25  27 1 #Down
            31   23  28 1 #Down
            32   22  29 1 #Up
            33   24  30 1 #Up
            34   27  31 1
            35   31  32 1
            36   32  33 1
            37   33  34 2
            38   34  35 1
            39   32  36 2
            40   35  37 2
            41   37  38 1
            42   38  39 2
            43   39  40 1
            44   40  41 2
            45   35  41 1
            46   39  42 1
            47   15  43 1
            48   40  44 1

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