KEGG   COMPOUND: C09248
Entry
C09248                      Compound                               
Name
Tubulosine
Formula
C29H37N3O3
Exact mass
475.2835
Mol weight
475.6224
Structure
Reaction
Pathway
map00950  Isoquinoline alkaloid biosynthesis
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C09248  Tubulosine
Other DBs
CAS: 2632-29-3
PubChem: 11439
ChEBI: 9775
KNApSAcK: C00001778
3DMET: B02798
NIKKAJI: J14.798B
KCF data

ATOM        35
            1   C8y C    29.2327  -22.2557
            2   C8y C    29.2620  -23.6667
            3   C1y C    28.0025  -21.5910
            4   N4x N    30.5621  -21.7951
            5   C8y C    30.6087  -24.0632
            6   C1x C    28.0667  -24.3897
            7   C1b C    26.7898  -20.8856
            8   N1x N    26.8015  -22.3140
            9   C8y C    31.4192  -22.9203
            10  C8x C    31.2093  -25.3401
            11  C1x C    26.8365  -23.7133
            12  C1y C    26.7898  -19.4922
            13  C8x C    32.8244  -23.0429
            14  C8y C    32.6087  -25.4625
            15  C1x C    25.5888  -18.7866
            16  C1y C    28.0084  -18.8099
            17  C8x C    33.4132  -24.3139
            18  O1a O    33.2967  -26.6752
            19  C1y C    25.6005  -17.3932
            20  C1x C    28.0201  -17.4165
            21  C1b C    29.2153  -19.5038
            22  C8y C    24.3935  -16.6935
            23  N1y N    26.8189  -16.7052
            24  C1a C    30.4222  -18.7982
            25  C8y C    24.3293  -15.2884
            26  C8x C    23.1866  -17.3989
            27  C1x C    26.8248  -15.2999
            28  C8x C    23.1866  -14.5945
            29  C1x C    25.6179  -14.6004
            30  C8y C    21.9680  -16.6935
            31  C8y C    21.9680  -15.2884
            32  O2a O    20.7611  -17.3989
            33  O2a O    20.7611  -14.5945
            34  C1a C    19.5483  -16.6935
            35  C1a C    19.5483  -15.2884
BOND        40
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 1
            11    7  12 1
            12    9  13 1
            13   10  14 2
            14   12  15 1
            15   12  16 1
            16   13  17 2
            17   14  18 1
            18   15  19 1
            19   16  20 1
            20   16  21 1 #Down
            21   19  22 1
            22   19  23 1
            23   21  24 1
            24   22  25 2
            25   22  26 1
            26   23  27 1
            27   25  28 1
            28   25  29 1
            29   26  30 2
            30   28  31 2
            31   30  32 1
            32   31  33 1
            33   32  34 1
            34   33  35 1
            35    5   9 2
            36    8  11 1
            37   14  17 1
            38   20  23 1
            39   27  29 1
            40   30  31 1

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