KEGG   COMPOUND: C01850Help
Entry
C01850                      Compound                               

Name
Rosmarinate;
Rosmarinic acid
Formula
C18H16O8
Exact mass
360.0845
Mol weight
360.3148
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Tyrosine metabolism
Enzyme
Brite
Major components of natural products [BR:br08323]
 Medicinal herbs
  Rosemary
   C01850  Rosmarinate
BRITE hierarchy
Other DBs
CAS: 
20283-92-5 537-15-5
PubChem: 
ChEBI: 
KNApSAcK: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        26
            1   C8x C    14.0700  -23.8700
            2   C8y C    14.0700  -25.2700
            3   C8y C    15.2824  -25.9700
            4   C8x C    16.4949  -25.2700
            5   C8y C    16.4949  -23.8700
            6   C8x C    15.2824  -23.1700
            7   O1a O    12.8576  -25.9700
            8   O1a O    15.2824  -27.3698
            9   C2b C    17.7260  -23.1590
            10  C2b C    18.9312  -23.8547
            11  C7a C    20.1135  -23.1719
            12  O7a O    21.3075  -23.8612
            13  O6a O    20.1135  -21.7702
            14  C1c C    22.4954  -23.1752
            15  C1b C    23.6865  -23.8629
            16  C6a C    22.4955  -21.7702
            17  O6a O    23.6888  -21.0811
            18  O6a O    21.2640  -21.0590
            19  C8y C    24.8759  -23.1761
            20  C8x C    26.0662  -23.8634
            21  C8x C    27.2787  -23.1634
            22  C8y C    27.2787  -21.7634
            23  C8y C    26.0884  -21.0761
            24  C8x C    24.8760  -21.7761
            25  O1a O    26.0884  -19.6702
            26  O1a O    28.5041  -21.0558
BOND        27
            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     2   7 1
            8     3   8 1
            9     5   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 1
            13   11  13 2
            14   12  14 1
            15   14  15 1
            16   14  16 1 #Up
            17   16  17 1
            18   16  18 2
            19   15  19 1
            20   19  20 2
            21   20  21 1
            22   21  22 2
            23   22  23 1
            24   23  24 2
            25   19  24 1
            26   23  25 1
            27   22  26 1

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