KEGG   COMPOUND: C12138Help
Entry
C12138                      Compound                               

Name
Delphinidin 3-O-glucoside;
Mirtillin;
Delphinidin 3-glucoside;
Delphinidin 3-O-beta-D-glucoside
Formula
C21H21O12
Exact mass
465.1033
Mol weight
465.3842
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Anthocyanin biosynthesis
Enzyme
2.3.1.171       2.3.1.215       2.4.1.115       2.4.1.297       
2.4.1.298       2.4.1.299       2.4.1.300       2.4.1.-         
2.4.2.51
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1201 Anthocyanidins
    C12138  Delphinidin 3-O-glucoside
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Anthocyanidins and anthocyanins
    C12138  Delphinidin 3-O-glucoside
BRITE hierarchy
Other DBs
CAS: 
6906-38-3 50986-17-9
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        33
            1   C8y C    28.8771  -15.5636
            2   C8y C    28.9411  -16.9644
            3   C8y C    30.0969  -14.8633
            4   O2x O    27.6689  -14.8516 #+
            5   O2a O    29.9742  -17.6005
            6   C8x C    27.6572  -17.6589
            7   C8x C    31.3108  -15.5694
            8   C8x C    30.0969  -13.4568
            9   C8y C    26.4491  -15.5520
            10  C1y C    31.2874  -18.3709
            11  C8y C    26.4432  -16.9527
            12  C8y C    32.5306  -14.8690
            13  C8y C    31.3167  -12.7564
            14  C8x C    25.2350  -14.8458
            15  O2x O    31.2874  -19.7658
            16  C1y C    32.5015  -17.6705
            17  C8y C    25.2350  -17.6531
            18  C8y C    32.5364  -13.4625
            19  C8y C    24.0211  -15.5520
            20  C1y C    32.5015  -20.4661
            21  C1y C    33.7037  -18.3709
            22  O1a O    32.5015  -16.2757
            23  C8x C    24.0211  -16.9527
            24  O1a O    25.2350  -19.0480
            25  O1a O    33.7445  -12.7680
            26  O1a O    22.8130  -14.8575
            27  C1y C    33.7037  -19.7658
            28  C1b C    32.5015  -21.8612
            29  O1a O    34.9176  -17.6705
            30  O1a O    34.9176  -20.4604
            31  O1a O    31.2934  -22.5615
            32  O1a O    31.3193  -11.3600
            33  O1a O    33.7376  -15.5711
BOND        36
            1     1   3 1
            2     1   4 2
            3     2   5 1
            4     2   6 2
            5     3   7 2
            6     3   8 1
            7     4   9 1
            8    10   5 1 #Up
            9     6  11 1
            10    7  12 1
            11    8  13 2
            12    9  14 1
            13   10  15 1
            14   10  16 1
            15   11  17 1
            16   12  18 2
            17   14  19 2
            18   15  20 1
            19   16  21 1
            20   16  22 1 #Down
            21   17  23 2
            22   17  24 1
            23   18  25 1
            24   19  26 1
            25   20  27 1
            26   20  28 1 #Up
            27   21  29 1 #Up
            28   27  30 1 #Down
            29   28  31 1
            30    9  11 2
            31   13  18 1
            32   19  23 1
            33   21  27 1
            34   13  32 1
            35    1   2 1
            36   12  33 1

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