KEGG   COMPOUND: C11527Help
Entry
C11527                      Compound                               

Name
4-Hydroxymandelate;
4-Hydroxymandelic acid
Formula
C8H8O4
Exact mass
168.0423
Mol weight
168.1467
Structure
Mol fileKCF fileDB search
Comment
(R)-4-Hydroxymandelate [CPD:C05343]
(S)-4-Hydroxymandelate [CPD:C03198]
Reaction
Enzyme
Other DBs
CAS: 1198-84-1
PubChem: 13695
ChEBI: 16388
ChEMBL: CHEMBL2087618
NIKKAJI: J100.348H
KCF data Show

ATOM        12
            1   C8x C    25.7066  -18.9619
            2   C8y C    25.7066  -20.3621
            3   C8x C    26.9229  -21.0586
            4   C8x C    28.1322  -20.3621
            5   C8y C    28.1322  -18.9619
            6   C8x C    26.9229  -18.2583
            7   O1a O    24.5005  -21.0591
            8   C1c C    29.3460  -18.2593
            9   C6a C    30.5540  -18.9619
            10  O6a O    31.7642  -18.2514
            11  O6a O    30.5469  -20.3621
            12  O1a O    29.3476  -16.8591
BOND        12
            1     6   1 1
            2     2   7 1
            3     1   2 2
            4     5   8 1
            5     2   3 1
            6     8   9 1
            7     3   4 2
            8     9  10 1
            9     4   5 1
            10    9  11 2
            11    5   6 2
            12    8  12 1

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