KEGG   COMPOUND: C02887Help
Entry
C02887                      Compound                               

Name
Sinapoyl malate;
Sinapoyl-(S)-malate
Formula
C15H16O9
Exact mass
340.0794
Mol weight
340.2821
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Phenylpropanoid biosynthesis
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Monolignols
   Sinapate derivatives
    C02887  Sinapoyl malate
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
3DMET: 
KCF data Show

ATOM        24
            1   C8y C    23.8000  -20.5100
            2   C8x C    23.8000  -21.9100
            3   C8y C    25.0124  -22.6100
            4   C8y C    26.2249  -21.9100
            5   C8y C    26.2249  -20.5100
            6   C8x C    25.0124  -19.8100
            7   O2a O    27.4560  -19.7990
            8   C1a C    27.4560  -18.3990
            9   O1a O    27.4560  -22.6210
            10  O2a O    25.0124  -24.0098
            11  C1a C    23.7832  -24.7197
            12  C2b C    22.5876  -19.8100
            13  C2b C    21.3921  -20.5004
            14  C7a C    20.2047  -19.8149
            15  O7a O    19.0135  -20.5029
            16  O6a O    20.2045  -18.4102
            17  C1c C    17.8240  -19.8162
            18  C1b C    16.6339  -20.5035
            19  C6a C    17.8238  -18.4102
            20  O6a O    16.6309  -17.7216
            21  O6a O    19.0558  -17.6986
            22  C6a C    16.6339  -21.9035
            23  O6a O    15.4385  -22.5940
            24  O6a O    17.8687  -22.6165
BOND        24
            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   17  15 1 #Up
            18   17  18 1
            19   17  19 1
            20   19  20 2
            21   19  21 1
            22   18  22 1
            23   22  23 1
            24   22  24 2

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