KEGG   COMPOUND: C09830Help
Entry
C09830                      Compound                               

Name
Poncirin;
Isosakuranetin 7-O-neohesperidoside
Formula
C28H34O14
Exact mass
594.1949
Mol weight
594.5612
Structure
Mol fileKCF fileDB search
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1214 Flavanones
    C09830  Poncirin
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavanones
    C09830  Poncirin
BRITE hierarchy
Other DBs
CAS: 14941-08-3
PubChem: 12018
ChEBI: 66773
ChEMBL: CHEMBL451050
KNApSAcK: C00000995
3DMET: B03309
NIKKAJI: J241.355H
LinkDB All DBs
KCF data Show

ATOM        42
            1   C8y C    25.5465  -14.5794
            2   C8y C    25.5406  -15.9471
            3   O2x O    26.7388  -13.8954
            4   C8x C    24.3657  -13.8954
            5   C5x C    26.7271  -16.6368
            6   C8y C    24.3657  -16.6309
            7   C1y C    27.9195  -14.5911
            8   C8y C    23.1735  -14.5794
            9   C1x C    27.9136  -15.9588
            10  O5x O    26.7213  -18.0103
            11  C8x C    23.1735  -15.9471
            12  O1a O    24.3717  -18.0045
            13  O2a O    21.9810  -13.8837
            14  C1y C    20.5431  -14.5500
            15  C1y C    20.5431  -15.9178
            16  O2x O    19.3626  -13.8663
            17  O2a O    21.7941  -16.8588
            18  C1y C    19.3626  -16.6075
            19  C1y C    18.1643  -14.5500
            20  C1y C    21.8058  -19.1617
            21  C1y C    18.1643  -15.9178
            22  O1a O    19.3626  -17.9752
            23  C1b C    16.9836  -13.8663
            24  C1y C    22.9923  -19.8456
            25  O2x O    20.6133  -19.8456
            26  O1a O    16.9836  -16.6075
            27  O1a O    15.7971  -14.5500
            28  C1y C    22.9923  -21.2191
            29  O1a O    24.1728  -19.1617
            30  C1y C    20.6133  -21.2191
            31  C1y C    21.8058  -21.9030
            32  O1a O    24.1728  -21.9030
            33  C1a C    19.4268  -21.9030
            34  O1a O    21.8058  -23.2707
            35  C8y C    29.1118  -13.9071
            36  C8x C    29.1118  -12.5394
            37  C8x C    30.2925  -14.6028
            38  C8x C    30.3042  -11.8614
            39  C8x C    31.4791  -13.9248
            40  C8y C    31.4848  -12.5511
            41  O2a O    32.6773  -11.8731
            42  C1a C    33.8812  -12.5804
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   40  41 1
            45   41  42 1
            46   39  40 2

» Japanese version

DBGET integrated database retrieval system