KEGG   COMPOUND: C12630
Entry
C12630                      Compound                               

Name
Scolymoside;
Luteolin 7-O-neohesperidoside;
Veronicastroside
Formula
C27H30O15
Exact mass
594.1585
Mol weight
594.5181
Structure
Reaction
Pathway
map00944  Flavone and flavonol biosynthesis
Enzyme
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1211 Flavones and Flavonols
    C12630  Luteolin 7-O-neohesperidoside
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavones
    C12630  Scolymoside
Glycosides [BR:br08021]
 O-glycosides
  Flavonoid glycosides
   Flavones and flavonols
    C12630  Scolymoside
Other DBs
CAS: 25694-72-8
PubChem: 583020
ChEBI: 31788
ChEMBL: CHEMBL452979
KNApSAcK: C00004283
NIKKAJI: J567.144B
LinkDB
KCF data

ATOM        42
            1   C8y C    30.1411  -14.0087
            2   C8y C    30.1353  -15.3930
            3   O2x O    31.3444  -13.3254
            4   C8x C    28.9613  -13.3195
            5   C8y C    31.3327  -16.0823
            6   C8y C    28.9613  -16.0763
            7   C8y C    32.5301  -14.0146
            8   C8y C    27.7580  -14.0087
            9   C8x C    32.5241  -15.3988
            10  O5x O    31.3268  -17.4548
            11  C8x C    27.7580  -15.3930
            12  O1a O    28.9613  -17.4490
            13  O2a O    26.5666  -13.3137
            14  C1y C    25.1239  -14.0380
            15  C1y C    25.1239  -15.4105
            16  O2x O    23.9383  -13.3488
            17  O2a O    26.2920  -16.3800
            18  C1y C    23.9383  -16.1056
            19  C1y C    22.7409  -14.0380
            20  C1y C    26.2920  -18.4477
            21  C1y C    22.7409  -15.4105
            22  O1a O    23.9440  -17.4782
            23  C1b C    21.5552  -13.3488
            24  C1y C    27.4836  -19.1312
            25  O2x O    25.1006  -19.1312
            26  O1a O    21.5552  -16.1056
            27  O1a O    20.3578  -14.0321
            28  C1y C    27.4836  -20.5154
            29  O1a O    28.6751  -18.4477
            30  C1y C    25.1006  -20.5154
            31  C1y C    26.2920  -21.1988
            32  O1a O    28.6751  -21.1988
            33  C1a C    23.9090  -21.1988
            34  O1a O    26.2920  -22.5773
            35  C8y C    33.7274  -13.3371
            36  C8x C    34.9072  -14.0321
            37  C8x C    33.7274  -11.9646
            38  C8y C    36.1046  -13.3488
            39  C8x C    34.9248  -11.2811
            40  C8y C    36.1105  -11.9761
            41  O1a O    37.3079  -11.2870
            42  O1a O    37.3114  -14.0532
BOND        46
            1     4   8 2
            2     5   9 1
            3     5  10 2
            4     6  11 2
            5     6  12 1
            6     8  13 1
            7    14  13 1 #Up
            8    14  15 1
            9    14  16 1
            10   15  17 1 #Down
            11   15  18 1
            12   16  19 1
            13   20  17 1 #Up
            14   18  21 1
            15   18  22 1 #Up
            16   19  23 1 #Up
            17   20  24 1
            18   20  25 1
            19   21  26 1 #Down
            20   23  27 1
            21   24  28 1
            22   24  29 1 #Down
            23   25  30 1
            24   28  31 1
            25   28  32 1 #Down
            26   30  33 1 #Down
            27   31  34 1 #Up
            28    7   9 2
            29    8  11 1
            30   19  21 1
            31   30  31 1
            32    7  35 1
            33    1   2 2
            34    1   3 1
            35    1   4 1
            36    2   5 1
            37    2   6 1
            38    3   7 1
            39   35  36 2
            40   35  37 1
            41   36  38 1
            42   37  39 2
            43   38  40 2
            44   40  41 1
            45   39  40 1
            46   38  42 1

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