KEGG   COMPOUND: C00933Help
Entry
C00933                      Compound                               

Name
Sinapine;
Sinapoylcholine
Formula
C16H24NO5
Exact mass
310.1654
Mol weight
310.3655
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Phenylpropanoid biosynthesis
Enzyme
2.3.1.91        3.1.1.49
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Monolignols
   Sinapate derivatives
    C00933  Sinapine
BRITE hierarchy
Other DBs
CAS: 
18696-26-9
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        22
            1   C8y C    36.9743  -17.6149
            2   C8x C    36.9743  -19.0187
            3   C8y C    38.1900  -19.7206
            4   C8y C    39.4058  -19.0187
            5   C8y C    39.4058  -17.6149
            6   C8x C    38.1900  -16.9130
            7   O2a O    40.6402  -16.9020
            8   C1a C    40.6402  -15.4982
            9   O1a O    40.6402  -19.7316
            10  O2a O    38.1900  -21.1242
            11  C1a C    36.9574  -21.8359
            12  C2b C    35.7586  -16.9130
            13  C2b C    34.5598  -17.6053
            14  C7a C    33.3692  -16.9179
            15  O7a O    32.1748  -17.6078
            16  O6a O    33.3690  -15.5094
            17  C1b C    30.9820  -16.9192
            18  C1b C    29.7887  -17.6085
            19  N1d N    28.5954  -16.9195 #+
            20  C1a C    27.4006  -17.6098
            21  C1a C    28.5954  -15.5195
            22  C1a C    28.9578  -18.2718
BOND        22
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     4   9 1
            10    3  10 1
            11   10  11 1
            12    1  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 1
            16   14  16 2
            17   15  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   19  21 1
            22   19  22 1

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