KEGG   COMPOUND: C15160
Entry
C15160                      Compound                               
Name
2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol
Formula
C25H31NO3
Exact mass
393.2304
Mol weight
393.5185
Structure
Other DBs
PubChem: 17396157
ChEBI: 79678
NIKKAJI: J2.793.195B
LinkDB
KCF data

ATOM        29
            1   C8y C    25.7360  -17.8354
            2   C8y C    25.7360  -19.2336
            3   C2y C    26.9469  -19.9329
            4   C2y C    28.1582  -19.2336
            5   C1z C    28.1582  -17.8354
            6   O2x O    26.9469  -17.1361
            7   C8x C    24.5250  -17.1361
            8   C8y C    23.3139  -17.8354
            9   C8y C    23.3139  -19.2336
            10  C8x C    24.5250  -19.9329
            11  C8y C    29.3716  -19.9343
            12  C1b C    26.9467  -21.3554
            13  C8x C    29.3721  -21.3550
            14  C8x C    30.5850  -22.0549
            15  C8y C    31.7976  -21.3541
            16  C8x C    31.7971  -19.9335
            17  C8x C    30.5840  -19.2336
            18  O2a O    33.0040  -22.0502
            19  C1a C    28.9407  -16.6929
            20  C1a C    29.3709  -18.5356
            21  C1a C    25.7377  -22.0533
            22  C1b C    22.0911  -19.9395
            23  N1y N    20.9024  -19.2530
            24  C1x C    20.7560  -17.8582
            25  C1x C    19.3843  -17.5664
            26  C1x C    18.6828  -18.7810
            27  C1x C    19.6211  -19.8234
            28  C1a C    34.1989  -21.3598
            29  O1a O    22.1049  -17.1375
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    9  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   23  27 1
            31   18  28 1
            32    8  29 1

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