KEGG   COMPOUND: C09732
Entry
C09732                      Compound                               

Name
Eriocitrin;
Eriodictyol 7-O-rutinoside
Formula
C27H32O15
Exact mass
596.1741
Mol weight
596.534
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1214 Flavanones
    C09732  Eriocitrin
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavanones
    C09732  Eriocitrin
Glycosides [BR:br08021]
 O-glycosides
  Flavonoid glycosides
   Flavanones
    C09732  Eriocitrin
Other DBs
CAS: 13463-28-0
PubChem: 11920
ChEBI: 28709
ChEMBL: CHEMBL2165586
LIPIDMAPS: LMPK12140366
KNApSAcK: C00008295
3DMET: B03231
NIKKAJI: J317.894C
LinkDB
KCF data

ATOM        42
            1   O2x O    20.2007  -17.0144
            2   C1y C    18.9894  -17.6853
            3   C1y C    20.1567  -19.7889
            4   C1y C    18.9618  -19.0688
            5   O2a O    22.8337  -16.8948
            6   C8y C    32.6568  -18.2949
            7   C8y C    32.6627  -16.9075
            8   C5x C    33.8574  -18.9938
            9   C8y C    31.4679  -18.9881
            10  O2x O    33.8691  -16.2133
            11  C8x C    31.4679  -16.2074
            12  C1x C    35.0639  -18.3066
            13  O5x O    33.8515  -20.3811
            14  C8x C    30.2613  -18.2949
            15  O1a O    31.4738  -20.3753
            16  C1y C    35.0698  -16.9192
            17  C8y C    30.2613  -16.9075
            18  O2a O    29.0024  -16.1375
            19  C1y C    27.6150  -16.9134
            20  O2x O    26.4132  -16.2191
            21  C1y C    27.6150  -18.3007
            22  C1y C    25.2067  -16.9134
            23  C1y C    26.4132  -18.9938
            24  O1a O    28.8215  -18.9938
            25  C1y C    25.2067  -18.3007
            26  C1b C    24.0060  -16.2133
            27  O1a O    26.4132  -20.3811
            28  O1a O    24.0060  -18.9938
            29  C8y C    36.2751  -16.2271
            30  C8x C    36.2762  -14.8376
            31  C8x C    37.4781  -16.9308
            32  C8y C    37.4898  -14.1561
            33  C8x C    38.6788  -16.2367
            34  C8y C    38.6846  -14.8492
            35  O1a O    37.4956  -12.7688
            36  O1a O    39.8912  -14.1620
            37  O1a O    17.7477  -19.7449
            38  O1a O    20.1344  -21.1776
            39  C1y C    21.4396  -19.1106
            40  C1y C    21.3921  -17.7220
            41  O1a O    22.5600  -19.8280
            42  C1a C    17.8002  -16.9730
BOND        46
            1     9  14 2
            2     9  15 1
            3    10  16 1
            4    11  17 2
            5    17  18 1
            6    19  18 1 #Up
            7    19  20 1
            8    19  21 1
            9    20  22 1
            10   21  23 1
            11   21  24 1 #Down
            12   22  25 1
            13   22  26 1 #Up
            14   23  27 1 #Up
            15   25  28 1 #Down
            16   12  16 1
            17   14  17 1
            18   23  25 1
            19   16  29 1 #Down
            20    6   7 2
            21    6   8 1
            22    6   9 1
            23    7  10 1
            24    7  11 1
            25    8  12 1
            26    8  13 2
            27   29  30 1
            28   29  31 2
            29   30  32 2
            30   31  33 1
            31   32  34 1
            32   32  35 1
            33   34  36 1
            34   33  34 2
            35   26   5 1
            36    1   2 1
            37    4  37 1 #Up
            38    2   4 1
            39    3  38 1 #Down
            40    3   4 1
            41    3  39 1
            42   39  40 1
            43   40   5 1 #Up
            44   39  41 1 #Down
            45   40   1 1
            46    2  42 1 #Down

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