KEGG   COMPOUND: C09990
Entry
C09990                      Compound                               
Name
Thiobinupharidine
Formula
C30H42N2O2S
Exact mass
494.2967
Mol weight
494.7317
Structure
Pathway
map01066  Biosynthesis of alkaloids derived from terpenoid and polyketide
Other DBs
CAS: 30343-72-7
PubChem: 12176
ChEBI: 9548
KNApSAcK: C00001985
3DMET: B03437
NIKKAJI: J34.260B
LinkDB
KCF data

ATOM        35
            1   C1z C    27.5581  -20.2203
            2   C1x C    26.7997  -21.3928
            3   C1x C    28.7713  -20.9201
            4   C1x C    26.6773  -19.1470
            5   C1x C    27.5581  -18.8261
            6   C1z C    25.4524  -21.0368
            7   N1y N    29.9788  -20.2203
            8   S2x S    25.3764  -19.6428
            9   C1x C    28.7773  -18.1203
            10  C1x C    24.2449  -20.3252
            11  C1x C    25.4524  -22.4311
            12  C1y C    31.1863  -20.9201
            13  C1y C    29.9788  -18.8261
            14  N1y N    23.0315  -21.0194
            15  C1x C    24.2332  -23.1309
            16  C8y C    31.2505  -22.3201
            17  C1x C    32.3997  -20.2260
            18  C1y C    31.1922  -18.1261
            19  C1y C    21.8182  -20.3194
            20  C1y C    23.0257  -22.4194
            21  C8x C    32.3880  -23.1543
            22  C8x C    30.1188  -23.1485
            23  C1x C    32.3997  -18.8320
            24  C1a C    31.1805  -16.7203
            25  C8y C    21.8299  -18.9252
            26  C1x C    20.6048  -21.0194
            27  C1y C    21.8182  -23.1252
            28  C8x C    31.9505  -24.4842
            29  O2x O    30.5505  -24.4842
            30  C8x C    20.6925  -18.0970
            31  C8x C    22.9557  -18.0970
            32  C1x C    20.6048  -22.4194
            33  C1a C    21.8066  -24.5309
            34  C8x C    21.1240  -16.7611
            35  O2x O    22.5299  -16.7611
BOND        41
            1     1   2 1 #Up
            2     1   3 1
            3     1   4 1 #Down
            4     1   5 1
            5     6   2 1 #Up
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     6  10 1
            10    6  11 1
            11    7  12 1
            12    7  13 1
            13   10  14 1
            14   11  15 1
            15   12  16 1
            16   12  17 1
            17   13  18 1
            18   14  19 1
            19   14  20 1
            20   16  21 1
            21   16  22 2
            22   17  23 1
            23   18  24 1 #Down
            24   19  25 1
            25   19  26 1
            26   20  27 1
            27   21  28 2
            28   22  29 1
            29   25  30 1
            30   25  31 2
            31   26  32 1
            32   27  33 1 #Down
            33   30  34 2
            34   31  35 1
            35    6   8 1 #Down
            36    9  13 1
            37   15  20 1
            38   18  23 1
            39   27  32 1
            40   28  29 1
            41   34  35 1

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