KEGG   COMPOUND: C03870
Entry
C03870                      Compound                               
Name
Isoorientin 2''-O-rhamnoside
Formula
C27H30O15
Exact mass
594.1585
Mol weight
594.5181
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1211 Flavones and Flavonols
    C03870  Isoorientin 2''-O-rhamnoside
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavones
    C03870  Isoorientin 2''-O-rhamnoside
Glycosides [BR:br08021]
 C-glycosides
  C03870  Isoorientin 2''-O-rhamnoside
Other DBs
PubChem: 6604
ChEBI: 28596
LIPIDMAPS: LMPK12110495
NIKKAJI: J533.638D
LinkDB
KCF data

ATOM        42
            1   C1y C    27.5857  -53.8569
            2   C1y C    26.3575  -53.1466
            3   C1y C    28.7968  -53.1466
            4   O1a O    27.5857  -55.2599
            5   C1y C    26.3575  -51.7552
            6   O1a O    25.1581  -53.8569
            7   C1y C    28.7968  -51.7552
            8   O1a O    30.0077  -53.8569
            9   O2x O    27.5857  -51.0623
            10  C1a C    25.1523  -51.0566
            11  C8y C    31.4229  -44.0076
            12  C8y C    31.4229  -45.4141
            13  O2x O    32.6889  -43.2574
            14  C8x C    30.2040  -43.2574
            15  C8y C    32.6889  -46.1174
            16  C8y C    30.2040  -46.1174
            17  C8y C    33.9079  -43.9607
            18  C8y C    28.9850  -44.0076
            19  C8x C    33.9079  -45.4141
            20  O5x O    32.6889  -47.4536
            21  C8y C    28.9850  -45.4141
            22  O1a O    30.2040  -47.4770
            23  C8y C    35.1269  -43.2574
            24  O1a O    27.8129  -43.3044
            25  C8x C    35.1269  -41.8978
            26  C8x C    36.3458  -43.9607
            27  C8x C    36.3458  -41.1945
            28  C8y C    37.5649  -43.3044
            29  C8y C    37.5649  -41.8978
            30  O1a O    38.7838  -41.1945
            31  O1a O    38.7370  -44.0076
            32  C1y C    25.3280  -46.1174
            33  C1y C    25.3280  -47.5239
            34  C1y C    26.5470  -48.2272
            35  C1y C    27.7659  -47.5239
            36  C1y C    27.7659  -46.1174
            37  O2x O    26.5470  -45.4141
            38  O1a O    26.5470  -49.6338
            39  C1b C    24.1090  -45.4141
            40  O2a O    29.1243  -49.3472
            41  O1a O    24.1794  -48.2272
            42  O1a O    22.8900  -46.1174
BOND        46
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     3   8 1 #Down
            8     5   9 1
            9     5  10 1 #Down
            10    7   9 1
            11   11  13 1
            12   11  14 1
            13   12  15 1
            14   12  16 1
            15   13  17 1
            16   14  18 2
            17   15  19 1
            18   15  20 2
            19   16  21 2
            20   16  22 1
            21   17  23 1
            22   18  24 1
            23   23  25 1
            24   23  26 2
            25   25  27 2
            26   26  28 1
            27   27  29 1
            28   29  30 1
            29   17  19 2
            30   18  21 1
            31   28  29 2
            32   28  31 1
            33   11  12 2
            34   32  33 1
            35   33  34 1
            36   34  35 1
            37   35  36 1
            38   36  37 1
            39   32  37 1
            40   36  21 1 #Up
            41   34  38 1 #Up
            42   32  39 1 #Up
            43   35  40 1 #Down
            44   33  41 1 #Down
            45   39  42 1
            46    7  40 1

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