KEGG   COMPOUND: C04170
Entry
C04170                      Compound                               

Name
13-(2-Methylcrotonoyl)oxylupanine;
13-(2-Methylcrotonoyl)oxylupinine;
(+)-13alpha-Tigloyloxylupanine
Formula
C20H30N2O3
Exact mass
346.2256
Mol weight
346.4638
Structure
Reaction
Pathway
map00960  Tropane, piperidine and pyridine alkaloid biosynthesis
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from lysine
   Quinolizidine alkaloids
    C04170  13-(2-Methylcrotonoyl)oxylupanine
Other DBs
PubChem: 6851
ChEBI: 18360
NIKKAJI: J586.876I
KCF data

ATOM        25
            1   C1y C    22.8285  -14.3296
            2   C1x C    24.0225  -13.6378
            3   C1y C    21.6159  -15.0436
            4   C1x C    24.0517  -15.0260
            5   N1y N    25.2295  -14.3296
            6   N1y N    21.6159  -16.4378
            7   C1x C    20.4030  -14.3530
            8   C1y C    24.0225  -16.4321
            9   C1y C    25.2295  -15.7297
            10  C1x C    26.4481  -13.6143
            11  C1x C    22.8402  -17.1473
            12  C5x C    20.4030  -17.1531
            13  C1x C    19.2020  -15.0436
            14  C1x C    26.4539  -16.4261
            15  C1x C    27.6724  -14.3236
            16  C1x C    19.2020  -16.4378
            17  O5x O    20.3972  -18.5355
            18  C1y C    27.6841  -15.7355
            19  O7a O    28.9035  -16.4365
            20  C7a C    30.1149  -15.7306
            21  C2c C    31.3311  -16.4237
            22  C2b C    32.5405  -15.7236
            23  C1a C    33.7569  -16.4166
            24  O6a O    30.1081  -14.3233
            25  C1a C    31.3342  -17.8310
BOND        28
            1     8   4 1 #Up
            2     5   9 1
            3     5  10 1
            4     6  11 1
            5     6  12 1
            6     7  13 1
            7     9  14 1
            8    10  15 1
            9    12  16 1
            10   12  17 2
            11   14  18 1
            12    8   9 1
            13    8  11 1
            14   13  16 1
            15   15  18 1
            16   18  19 1 #Down
            17    1   2 1
            18   19  20 1
            19    1   3 1
            20   20  21 1
            21    1   4 1 #Up
            22   21  22 2
            23    2   5 1
            24   22  23 1
            25    3   6 1
            26   20  24 2
            27    3   7 1
            28   21  25 1

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