KEGG   COMPOUND: C08732
Entry
C08732                      Compound                               
Name
Albafuran A;
4-((2E)-3,7-Dimethyl-2,6-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-1,3-benzenediol
Formula
C24H26O4
Exact mass
378.1831
Mol weight
378.4608
Structure
Brite
Phytochemical compounds [BR:br08003]
 Flavonoids
  Isoflavonoids
   2-Arylbenzofurans
    C08732  Albafuran A
Other DBs
CAS: 84323-14-8
PubChem: 10925
ChEBI: 2543
KNApSAcK: C00002391
3DMET: B02364
NIKKAJI: J2.695.817B
LinkDB
KCF data

ATOM        28
            1   C8y C    27.8168  -14.8885
            2   C8y C    26.4123  -14.8942
            3   C8y C    28.5160  -16.1064
            4   C8x C    28.5101  -13.6822
            5   C8x C    25.5966  -13.7579
            6   O2x O    25.6023  -16.0307
            7   C8y C    29.9144  -16.1064
            8   C1b C    27.8108  -17.3183
            9   C8y C    29.9144  -13.6765
            10  C8y C    24.2680  -14.1951
            11  C8y C    24.2738  -15.5877
            12  C8x C    30.6196  -14.8942
            13  O1a O    30.6137  -17.3183
            14  C2b C    26.4123  -17.3242
            15  O1a O    30.6137  -12.4586
            16  C8x C    23.0559  -13.4958
            17  C8x C    23.0675  -16.2928
            18  C2c C    25.7189  -18.5246
            19  C8x C    21.8439  -14.2009
            20  C8y C    21.8496  -15.6051
            21  C1b C    24.3145  -18.5305
            22  C1a C    26.4123  -19.7425
            23  O1a O    20.6434  -16.3103
            24  C1b C    23.6152  -19.7425
            25  C2b C    22.2109  -19.7425
            26  C2c C    21.5059  -20.9546
            27  C1a C    20.1074  -20.9603
            28  C1a C    22.2109  -22.1666
BOND        30
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 1
            11    7  12 1
            12    7  13 1
            13    8  14 1
            14    9  15 1
            15   10  16 1
            16   11  17 1
            17   14  18 2
            18   16  19 2
            19   17  20 2
            20   18  21 1
            21   18  22 1
            22   20  23 1
            23   21  24 1
            24   24  25 1
            25   25  26 2
            26   26  27 1
            27   26  28 1
            28    9  12 2
            29   10  11 2
            30   19  20 1

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