KEGG   COMPOUND: C15162
Entry
C15162                      Compound                               
Name
2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol
Formula
C25H31NO3
Exact mass
393.2304
Mol weight
393.5185
Structure
Other DBs
PubChem: 17396159
ChEBI: 79680
NIKKAJI: J2.793.206A
LinkDB
KCF data

ATOM        29
            1   C8y C    25.7382  -17.8369
            2   C8y C    25.7382  -19.2353
            3   C2y C    26.9492  -19.9346
            4   C2y C    28.1606  -19.2353
            5   C1z C    28.1606  -17.8369
            6   O2x O    26.9492  -17.1376
            7   C8y C    24.5271  -17.1376
            8   C8y C    23.3159  -17.8369
            9   C8x C    23.3159  -19.2353
            10  C8x C    24.5271  -19.9346
            11  C8y C    29.3741  -19.9360
            12  C1b C    26.9490  -21.3572
            13  C8x C    29.3746  -21.3568
            14  C8x C    30.5876  -22.0568
            15  C8y C    31.8004  -21.3559
            16  C8x C    31.7999  -19.9352
            17  C8x C    30.5866  -19.2353
            18  O2a O    33.0069  -22.0521
            19  C1a C    28.9432  -16.6943
            20  C1a C    29.3734  -18.5372
            21  C1a C    25.7399  -22.0552
            22  C1a C    34.2019  -21.3616
            23  O1a O    22.1068  -17.1390
            24  C1b C    24.5269  -15.7503
            25  N1y N    23.2942  -15.0386
            26  C1x C    23.1494  -13.6592
            27  C1x C    21.7928  -13.3708
            28  C1x C    21.0992  -14.5718
            29  C1x C    22.0272  -15.6026
BOND        32
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     1   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    2  10 1
            12    4  11 1
            13    3  12 1
            14   11  13 2
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   11  17 1
            20   15  18 1
            21    5  19 1
            22    5  20 1
            23   12  21 1
            24   18  22 1
            25    8  23 1
            26    7  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   28  29 1
            32   25  29 1

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