KEGG   COMPOUND: C02572
Entry
C02572                      Compound                               

Name
5-O-Feruloylquinic acid;
O-Feruloylquinate;
3-O-Feruloylquinic acid
Formula
C17H20O9
Exact mass
368.1107
Mol weight
368.3353
Structure
Comment
3-O-Feruloylquinic acid is based on old nomenclature system of numbering.
Reaction
Enzyme
Other DBs
PubChem: 5568
ChEBI: 18013
ChEMBL: CHEMBL3526659
NIKKAJI: J2.738.985F
LinkDB
KCF data

ATOM        26
            1   C8y C    25.1268  -17.5934
            2   C8x C    25.1268  -18.9998
            3   C8x C    26.3449  -19.7031
            4   C8y C    27.5630  -18.9998
            5   C8y C    27.5630  -17.5934
            6   C8x C    26.3449  -16.8902
            7   O2a O    28.7997  -16.8792
            8   O1a O    28.7997  -19.7142
            9   C2b C    23.9088  -16.8902
            10  C2b C    22.7078  -17.5838
            11  C7a C    21.5149  -16.8951
            12  O7a O    20.3182  -17.5863
            13  O6a O    21.5147  -15.6245
            14  C1y C    19.1232  -16.8964
            15  C1x C    19.1230  -15.4839
            16  C1z C    17.9049  -14.7809
            17  C1x C    16.6870  -15.4842
            18  C1y C    16.6871  -16.8968
            19  C1y C    17.9052  -17.5998
            20  O1a O    15.4727  -17.5980
            21  O1a O    17.9053  -18.9996
            22  C6a C    19.1230  -14.0776
            23  O1a O    16.6869  -14.0776
            24  O6a O    19.1230  -12.6711
            25  O6a O    20.3605  -14.7924
            26  C1a C    30.0121  -17.5792
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     5   7 1
            8     4   8 1
            9     1   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 1
            13   11  13 2
            14   14  12 1 #Up
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   14  19 1
            21   18  20 1 #Down
            22   19  21 1 #Down
            23   16  22 1 #Up
            24   16  23 1 #Down
            25   22  24 2
            26   22  25 1
            27    7  26 1

» Japanese version

DBGET integrated database retrieval system