KEGG   COMPOUND: C10239Help
Entry
C10239                      Compound                               

Name
Robinetinidol-(4alpha->8)-catechin-(6->4alpha)-robinetinidol
Formula
C45H38O18
Exact mass
866.2058
Mol weight
866.7724
Structure
Mol fileKCF fileDB search
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1203 Proanthocyanidins
    C10239  Robinetinidol-(4alpha->8)-catechin-(6->4alpha)-robinetinidol
Phytochemical compounds [BR:br08003]
 Flavonoids
  Complex flavonoids
   Proanthocyanidins
    C10239  Robinetinidol-(4alpha->8)-catechin-(6->4alpha)-robinetinidol
BRITE hierarchy
Other DBs
CAS: 85820-29-7
PubChem: 12425
ChEBI: 8877
LIPIDMAPS: LMPK12030015
KNApSAcK: C00002936
3DMET: B03665
NIKKAJI: J2.772.068D
KCF data Show

ATOM        63
            1   C1y C    23.5371  -19.5799
            2   C8y C    23.5312  -20.9841
            3   C1y C    22.3251  -18.8689
            4   C8y C    22.3135  -21.6717
            5   C8x C    24.7374  -21.6717
            6   C1y C    21.1073  -19.5623
            7   O1a O    22.3366  -17.7445
            8   O2x O    21.0956  -20.9667
            9   C8x C    22.3135  -23.0760
            10  C8x C    24.7374  -23.0760
            11  C8y C    23.5254  -23.7812
            12  O1a O    23.5312  -25.1797
            13  C8y C    19.8951  -18.8573
            14  C8x C    19.9068  -17.4530
            15  C8x C    18.6772  -19.5506
            16  C8y C    18.6948  -16.7537
            17  C8y C    17.4710  -18.8397
            18  C8y C    17.4769  -17.4413
            19  O1a O    18.7065  -15.3493
            20  O1a O    16.2474  -19.5390
            21  O1a O    16.2648  -16.7362
            22  C8y C    24.7484  -18.8895
            23  C1y C    25.9729  -15.3959
            24  C8y C    24.7724  -14.6850
            25  C1y C    27.1965  -14.6967
            26  C8y C    24.7841  -13.2865
            27  C8x C    23.5545  -15.3726
            28  C1y C    27.2024  -13.2981
            29  O1a O    28.4027  -15.4135
            30  O2x O    25.9903  -12.5931
            31  C8x C    23.5837  -12.5815
            32  C8x C    22.3483  -14.6617
            33  C8y C    22.3659  -13.2632
            34  O1a O    21.1596  -12.5522
            35  C8y C    28.4123  -12.6056
            36  C8x C    29.6263  -13.3157
            37  C8x C    28.4203  -11.2120
            38  C8y C    30.8442  -12.6281
            39  C8y C    29.6439  -10.5129
            40  C8y C    30.8501  -11.2237
            41  O1a O    32.0504  -13.3331
            42  O1a O    29.6497   -9.1158
            43  O1a O    32.0680  -10.5303
            44  C8y C    25.9729  -16.7945
            45  C8y C    27.1848  -17.4995
            46  C8y C    24.7607  -17.4821
            47  C8y C    27.1674  -18.8922
            48  O2x O    28.3970  -16.8178
            49  O1a O    23.5488  -16.7071
            50  C8y C    25.9553  -19.5973
            51  C1x C    28.3677  -19.6032
            52  C1y C    29.5973  -17.5228
            53  O1a O    25.9495  -20.9958
            54  C1y C    29.5856  -18.9156
            55  O1a O    30.7918  -19.6322
            56  C8y C    30.8101  -16.8354
            57  C8x C    32.0214  -17.5461
            58  C8x C    30.8268  -15.4367
            59  C8y C    33.2392  -16.8585
            60  C8x C    32.0447  -14.7433
            61  C8y C    33.2567  -15.4600
            62  O1a O    34.4455  -17.5694
            63  O1a O    34.4745  -14.7666
BOND        71
            1    25  28 1
            2    25  29 1 #Up
            3    26  30 1
            4    26  31 1
            5    27  32 2
            6    31  33 2
            7    33  34 1
            8    28  30 1
            9    32  33 1
            10    4   8 1
            11   28  35 1 #Down
            12    4   9 1
            13   13  14 2
            14   13  15 1
            15   14  16 1
            16   15  17 2
            17   16  18 2
            18   16  19 1
            19   17  20 1
            20   35  36 2
            21   35  37 1
            22   36  38 1
            23   37  39 2
            24   38  40 2
            25   38  41 1
            26   39  42 1
            27   40  43 1
            28   39  40 1
            29   18  21 1
            30   23  44 1 #Down
            31   17  18 1
            32    5  10 2
            33    1  22 1 #Down
            34    9  11 2
            35   11  12 1
            36    6   8 1
            37   10  11 1
            38    6  13 1 #Down
            39    1   2 1
            40    1   3 1
            41   44  45 1
            42   44  46 2
            43   45  47 2
            44   45  48 1
            45   46  22 1
            46   46  49 1
            47   47  50 1
            48   47  51 1
            49   48  52 1
            50   50  53 1
            51   51  54 1
            52   54  55 1 #Up
            53   22  50 2
            54   52  54 1
            55    2   4 2
            56   52  56 1 #Down
            57    2   5 1
            58    3   6 1
            59    3   7 1 #Up
            60   23  24 1
            61   23  25 1
            62   24  26 2
            63   24  27 1
            64   56  57 2
            65   56  58 1
            66   57  59 1
            67   58  60 2
            68   59  61 2
            69   59  62 1
            70   61  63 1
            71   60  61 1

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