KEGG   COMPOUND: C16915Help
Entry
C16915                      Compound                               

Name
Arctiin
Formula
C27H34O11
Exact mass
534.2101
Mol weight
534.5523
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Lignans
   Lignan glycosides
    C16915  Arctiin
BRITE hierarchy
Other DBs
CAS: 20362-31-6
PubChem: 96023408
ChEBI: 80793
ChEMBL: CHEMBL1526371 CHEMBL388452
KNApSAcK: C00000646
NIKKAJI: J82.956K
LinkDB All DBs
KCF data Show

ATOM        38
            1   C1y C    33.7400  -21.6300
            2   C1y C    35.1400  -21.6300
            3   C7x C    35.5726  -20.2985
            4   O7x O    34.4400  -19.4756
            5   C1x C    33.3074  -20.2985
            6   O6a O    36.8922  -19.8697
            7   C1b C    36.3524  -22.3300
            8   C8y C    37.5649  -21.6300
            9   C1b C    32.5276  -22.3300
            10  C8y C    31.3151  -21.6300
            11  C8x C    38.7960  -22.3410
            12  C8x C    40.0085  -21.6412
            13  C8y C    40.0087  -20.2412
            14  C8y C    38.7776  -19.5302
            15  C8x C    37.5651  -20.2300
            16  C8x C    31.3151  -20.2302
            17  C8y C    30.1027  -19.5302
            18  C8y C    28.8903  -20.2302
            19  C8x C    28.8903  -21.6300
            20  C8x C    30.1027  -22.3300
            21  O2a O    41.2495  -19.5249
            22  C1y C    42.4494  -20.2179
            23  O2a O    38.7778  -18.1300
            24  C1a C    39.9920  -17.4292
            25  O2a O    30.1027  -18.1300
            26  O2a O    27.6926  -19.5386
            27  C1a C    28.8882  -17.4288
            28  C1a C    26.5045  -20.2246
            29  C1y C    42.4494  -21.6297
            30  C1y C    43.6619  -22.3297
            31  C1y C    44.8743  -21.6296
            32  C1y C    44.8743  -20.2178
            33  O2x O    43.6618  -19.5179
            34  C1b C    46.0782  -19.5228
            35  O1a O    43.6619  -23.7299
            36  O1a O    47.2800  -20.2168
            37  O1a O    41.2150  -22.3427
            38  O1a O    46.0837  -22.3278
BOND        41
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     3   6 2
            7     2   7 1 #Down
            8     7   8 1
            9     1   9 1 #Up
            10    9  10 1
            11    8  11 2
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16    8  15 1
            17   10  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   10  20 1
            23   13  21 1
            24   22  21 1 #Down
            25   14  23 1
            26   23  24 1
            27   17  25 1
            28   18  26 1
            29   25  27 1
            30   26  28 1
            31   22  29 1
            32   29  30 1
            33   30  31 1
            34   31  32 1
            35   32  33 1
            36   22  33 1
            37   32  34 1 #Down
            38   30  35 1 #Down
            39   34  36 1
            40   29  37 1 #Up
            41   31  38 1 #Up

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