KEGG   COMPOUND: C10178
Entry
C10178                      Compound                               
Name
Robinin
Formula
C33H40O19
Exact mass
740.2164
Mol weight
740.6593
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1211 Flavones and Flavonols
    C10178  Robinin
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavonols
    C10178  Robinin
Glycosides [BR:br08021]
 O-glycosides
  Flavonoid glycosides
   Flavones and flavonols
    C10178  Robinin
Other DBs
CAS: 301-19-9
PubChem: 12364
ChEBI: 8878
LIPIDMAPS: LMPK12111685
KNApSAcK: C00005226
3DMET: B03611
NIKKAJI: J11.402B
KCF data

ATOM        52
            1   C1y C    31.1437  -19.6648
            2   C1y C    32.3440  -20.3627
            3   O2x O    31.1496  -18.2739
            4   C1b C    29.9489  -20.3551
            5   C1y C    33.5442  -19.6632
            6   O1a O    32.3484  -21.7474
            7   C1y C    32.3515  -17.5906
            8   O2a O    29.9184  -21.9081
            9   C1y C    33.5447  -18.2815
            10  O1a O    34.7444  -20.3612
            11  O2a O    32.3728  -16.1716
            12  C1y C    29.9209  -23.5696
            13  O1a O    34.7460  -17.5992
            14  C1y C    31.0989  -24.2747
            15  O2x O    28.7121  -24.2304
            16  C1y C    31.0751  -25.6479
            17  O1a O    32.3069  -23.6015
            18  C1y C    28.6950  -25.6062
            19  C1y C    29.8801  -26.3184
            20  O1a O    32.2549  -26.3570
            21  C1a C    27.4833  -26.2717
            22  O1a O    29.9238  -27.6963
            23  C8y C    31.1599  -14.0758
            24  C8y C    31.1542  -15.4601
            25  O2x O    29.9697  -13.3880
            26  C8y C    32.3701  -13.3925
            27  C8y C    29.9580  -16.1564
            28  C8y C    28.7653  -14.0700
            29  C8x C    33.5557  -14.0934
            30  C8x C    32.3701  -12.0142
            31  C8y C    28.7596  -15.4484
            32  O5x O    29.9523  -17.5405
            33  C8x C    27.5811  -13.3822
            34  C8x C    34.7589  -13.4042
            35  C8x C    33.5674  -11.3250
            36  C8y C    27.5811  -16.1504
            37  C8y C    26.3650  -14.0700
            38  C8y C    34.7647  -12.0199
            39  C8x C    26.3650  -15.4484
            40  O1a O    27.5811  -17.5347
            41  O2a O    25.0450  -13.2406
            42  O1a O    35.9679  -11.3367
            43  C1y C    23.6491  -14.1635
            44  C1y C    23.6491  -15.5476
            45  O2x O    22.4646  -13.4743
            46  C1y C    22.4646  -16.2427
            47  O1a O    24.8594  -16.2427
            48  C1y C    21.2545  -14.1635
            49  C1y C    21.2545  -15.5476
            50  O1a O    22.4646  -17.6340
            51  C1a C    20.0585  -13.4743
            52  O1a O    20.0585  -16.2427
BOND        57
            1     3   7 1
            2     4   8 1
            3     5   9 1
            4     5  10 1 #Up
            5     7  11 1 #Up
            6    12   8 1 #Up
            7     9  13 1 #Down
            8    12  14 1
            9    12  15 1
            10   14  16 1
            11   14  17 1 #Down
            12   15  18 1
            13   16  19 1
            14   16  20 1 #Down
            15   18  21 1 #Down
            16   19  22 1 #Up
            17    7   9 1
            18   18  19 1
            19    1   2 1
            20    1   3 1
            21    1   4 1 #Up
            22    2   5 1
            23    2   6 1 #Up
            24   23  24 2
            25   23  25 1
            26   23  26 1
            27   24  27 1
            28   25  28 1
            29   26  29 2
            30   26  30 1
            31   27  31 1
            32   27  32 2
            33   28  33 1
            34   29  34 1
            35   30  35 2
            36   31  36 1
            37   33  37 2
            38   34  38 2
            39   36  39 2
            40   36  40 1
            41   37  41 1
            42   38  42 1
            43   43  41 1 #Up
            44   43  44 1
            45   43  45 1
            46   44  46 1
            47   44  47 1 #Down
            48   45  48 1
            49   46  49 1
            50   46  50 1 #Down
            51   48  51 1 #Down
            52   49  52 1 #Up
            53   28  31 2
            54   35  38 1
            55   37  39 1
            56   48  49 1
            57   24  11 1

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