KEGG   COMPOUND: C09805
Entry
C09805                      Compound                               

Name
Neoeriocitrin;
Eriodictyol 7-O-neohesperidoside
Formula
C27H32O15
Exact mass
596.1741
Mol weight
596.534
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1214 Flavanones
    C09805  Neoeriocitrin
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavanones
    C09805  Neoeriocitrin
Glycosides [BR:br08021]
 O-glycosides
  Flavonoid glycosides
   Flavanones
    C09805  Neoeriocitrin
Other DBs
CAS: 13241-32-2
PubChem: 11993
ChEBI: 7502
ChEMBL: CHEMBL3609603
KNApSAcK: C00000986
3DMET: B03302
NIKKAJI: J213.772K
KCF data

ATOM        42
            1   C8y C    25.3014  -12.9659
            2   C8y C    25.2955  -14.3342
            3   O2x O    26.4942  -12.2818
            4   C8x C    24.1201  -12.2818
            5   C5x C    26.4825  -15.0242
            6   C8y C    24.1201  -15.0184
            7   C1y C    27.6755  -12.9776
            8   C8y C    22.9273  -12.9659
            9   C1x C    27.6696  -14.3459
            10  O5x O    26.4767  -16.3985
            11  C8x C    22.9273  -14.3342
            12  O1a O    24.1260  -16.3925
            13  O2a O    21.7343  -12.2701
            14  C1y C    20.2959  -12.9367
            15  C1y C    20.2959  -14.3050
            16  O2x O    19.1146  -12.2524
            17  O2a O    21.5472  -15.2464
            18  C1y C    19.1146  -14.9950
            19  C1y C    17.9159  -12.9367
            20  C1y C    21.5589  -17.5504
            21  C1y C    17.9159  -14.3050
            22  O1a O    19.1146  -16.3634
            23  C1b C    16.7348  -12.2524
            24  C1y C    22.7460  -18.2345
            25  O2x O    20.3660  -18.2345
            26  O1a O    16.7348  -14.9950
            27  O1a O    15.5477  -12.9367
            28  C1y C    22.7460  -19.6088
            29  O1a O    23.9271  -17.5504
            30  C1y C    20.3660  -19.6088
            31  C1y C    21.5589  -20.2929
            32  O1a O    23.9271  -20.2929
            33  C1a C    19.1789  -20.2929
            34  O1a O    21.5589  -21.6612
            35  C8y C    28.8683  -12.2935
            36  C8x C    28.8683  -10.9251
            37  C8x C    30.0496  -12.9893
            38  C8y C    30.0613  -10.2468
            39  C8x C    31.2367  -12.3109
            40  C8y C    31.2424  -10.9368
            41  O1a O    30.0671   -8.8785
            42  O1a O    32.4354  -10.2585
BOND        46
            1     5   9 1
            2     5  10 2
            3     6  11 2
            4     6  12 1
            5     8  13 1
            6    14  13 1 #Up
            7    14  15 1
            8    14  16 1
            9    15  17 1 #Down
            10   15  18 1
            11   16  19 1
            12   20  17 1 #Up
            13   18  21 1
            14   18  22 1 #Up
            15   19  23 1 #Up
            16   20  24 1
            17   20  25 1
            18   21  26 1 #Down
            19   23  27 1
            20   24  28 1
            21   24  29 1 #Down
            22   25  30 1
            23   28  31 1
            24   28  32 1 #Down
            25   30  33 1 #Down
            26   31  34 1 #Up
            27    7   9 1
            28    8  11 1
            29   19  21 1
            30   30  31 1
            31    7  35 1 #Down
            32    1   2 2
            33    1   3 1
            34    1   4 1
            35    2   5 1
            36    2   6 1
            37    3   7 1
            38    4   8 2
            39   35  36 1
            40   35  37 2
            41   36  38 2
            42   37  39 1
            43   38  40 1
            44   38  41 1
            45   40  42 1
            46   39  40 2

» Japanese version

DBGET integrated database retrieval system