KEGG   COMPOUND: C12342
Entry
C12342                      Compound                               
Name
Ancistrobrevine A
Formula
C27H33NO4
Exact mass
435.241
Mol weight
435.5552
Structure
Other DBs
PubChem: 582732
ChEBI: 31212
NIKKAJI: J842.385G
LinkDB
KCF data

ATOM        32
            1   C8y C    28.6300  -19.5300
            2   C8y C    28.6300  -20.9300
            3   C8y C    27.3700  -18.8300
            4   C8y C    27.4400  -21.6300
            5   C8x C    29.8200  -21.6300
            6   O2a O    26.1800  -19.5300
            7   C8y C    27.4400  -23.0300
            8   C8x C    26.1800  -20.9300
            9   C8x C    29.8200  -23.0300
            10  C8y C    28.6300  -23.7300
            11  C8y C    26.1800  -23.7300
            12  C8y C    24.9900  -21.6300
            13  O2a O    28.6300  -25.1300
            14  C8x C    24.9900  -23.0300
            15  O2a O    26.1800  -25.1300
            16  C8y C    29.8200  -18.8300
            17  C8x C    29.8200  -17.4300
            18  C1a C    29.8200  -25.8300
            19  C8y C    28.6300  -16.7300
            20  C8y C    27.3700  -17.4300
            21  C1y C    26.1800  -16.7300
            22  N1y N    26.1800  -15.3300
            23  C1y C    27.3700  -14.6300
            24  C1x C    28.6300  -15.3300
            25  C1a C    24.9900  -17.4300
            26  C1a C    27.4400  -13.2300
            27  C1a C    24.9900  -25.8300
            28  C1a C    23.8000  -20.9300
            29  O2a O    31.0100  -19.5300
            30  C1a C    32.2000  -18.8300
            31  C1a C    24.9900  -18.9000
            32  C1a C    24.9900  -14.6300
BOND        35
            1    11  15 1
            2    10   9 2
            3    12  14 1
            4    16   1 2
            5    16  17 1
            6     1   2 1
            7    13  18 1
            8     1   3 1
            9    17  19 2
            10    2   4 1
            11    5   2 2
            12    3  20 2
            13    3   6 1
            14   19  20 1
            15   20  21 1
            16   21  22 1
            17   22  23 1
            18   23  24 1
            19   24  19 1
            20    4   7 2
            21   21  25 1 #Up
            22    4   8 1
            23   23  26 1 #Up
            24    5   9 1
            25   15  27 1
            26    7  10 1
            27    7  11 1
            28   16  29 1
            29    8  12 2
            30   29  30 1
            31   10  13 1
            32    6  31 1
            33   11  14 2
            34   22  32 1
            35   12  28 1

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