KEGG   COMPOUND: C10477Help
Entry
C10477                      Compound                               

Name
Methyl caffeate
Formula
C10H10O4
Exact mass
194.0579
Mol weight
194.184
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 3843-74-1
PubChem: 12660
ChEBI: 6856
ChEMBL: CHEMBL17001
KNApSAcK: C00002759
3DMET: B03882
NIKKAJI: J46.681F
KCF data Show

ATOM        14
            1   C8y C    27.4868  -18.2732
            2   C8x C    26.2781  -17.5584
            3   C2b C    28.6996  -17.5817
            4   C8x C    27.4766  -19.6735
            5   C8x C    25.0593  -18.2557
            6   C2b C    29.9023  -18.2964
            7   C8y C    26.2578  -20.3650
            8   C8y C    25.0493  -19.6560
            9   C7a C    31.1209  -17.6049
            10  O1a O    23.8364  -20.3475
            11  O6a O    31.1367  -16.2048
            12  O7a O    32.3293  -18.3196
            13  O1a O    26.2478  -21.7609
            14  C1a C    33.5483  -17.6328
BOND        14
            1     1   3 1
            2     1   4 2
            3     2   5 2
            4     3   6 2
            5     4   7 1
            6     5   8 1
            7     6   9 1
            8     8  10 1
            9     9  11 2
            10    9  12 1
            11    7   8 2
            12    7  13 1
            13    1   2 1
            14   12  14 1

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