KEGG   COMPOUND: C16315
Entry
C16315                      Compound                               
Name
Tulipanin;
Delphinidin 3-O-rutinoside
Formula
C27H31O16
Exact mass
611.1612
Mol weight
611.5254
Structure
Reaction
Pathway
map00942  Anthocyanin biosynthesis
Enzyme
2.4.1.-
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1201 Anthocyanidins
    C16315  Tulipanin
    C16315  Tulipanin
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Anthocyanidins and anthocyanins
    C16315  Tulipanin
Glycosides [BR:br08021]
 O-glycosides
  Anthocyanin glycosides
   Glycosylated delphinidin
    C16315  Tulipanin
Other DBs
PubChem: 47205623
ChEBI: 80441
LIPIDMAPS: LMPK12010282
NIKKAJI: J400.935E
KCF data

ATOM        43
            1   C8y C    35.9800  -28.7000
            2   C8y C    35.9800  -27.3000
            3   C8x C    34.8600  -26.6000
            4   C8y C    33.6000  -27.3000
            5   C8x C    33.6000  -28.7000
            6   C8y C    34.8600  -29.4000
            7   C8x C    37.1000  -29.4000
            8   C8y C    38.3600  -28.7000
            9   C8y C    38.3600  -27.3000
            10  O2x O    37.1000  -26.6000 #+
            11  O1a O    34.8600  -30.8000
            12  O1a O    32.4100  -26.6000
            13  C8y C    39.5500  -26.6000
            14  C8x C    40.7400  -27.3000
            15  C8y C    42.0000  -26.6000
            16  C8y C    42.0000  -25.2000
            17  C8y C    40.8100  -24.5000
            18  C8x C    39.5500  -25.2000
            19  O1a O    43.1900  -24.5000
            20  O2a O    39.5500  -29.4000
            21  O1a O    43.1900  -27.3700
            22  O1a O    40.8100  -23.1000
            23  C1y C    40.8100  -30.1000
            24  C1y C    40.8100  -31.4300
            25  C1y C    42.0000  -32.1300
            26  C1y C    43.1900  -31.4300
            27  C1y C    43.1900  -30.1000
            28  O2x O    42.0000  -29.4000
            29  O1a O    44.4500  -32.1300
            30  O1a O    39.5500  -32.2000
            31  C1b C    44.4500  -29.4000
            32  O1a O    42.0000  -33.5300
            33  O2a O    45.6400  -30.0300
            34  C1y C    46.8300  -29.4000
            35  C1y C    48.0200  -30.0300
            36  C1y C    49.2100  -29.3300
            37  C1y C    49.2100  -27.9300
            38  C1y C    48.0200  -27.3000
            39  O2x O    46.8300  -28.0000
            40  C1a C    48.0200  -25.9000
            41  O1a O    50.4000  -27.2300
            42  O1a O    50.4000  -30.1000
            43  O1a O    48.0200  -31.4300
BOND        47
            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   15  21 1
            24   17  22 1
            25   23  20 1 #Down
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   23  28 1
            32   26  29 1 #Up
            33   24  30 1 #Up
            34   27  31 1 #Down
            35   25  32 1 #Down
            36   31  33 1
            37   34  33 1 #Down
            38   34  35 1
            39   35  36 1
            40   36  37 1
            41   37  38 1
            42   38  39 1
            43   34  39 1
            44   38  40 1 #Up
            45   37  41 1 #Down
            46   36  42 1 #Up
            47   35  43 1 #Up

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