KEGG   COMPOUND: C01456Help
Entry
C01456                      Compound                               

Name
Tropate;
Tropic acid;
alpha-(Hydroxymethyl)phenylacetic acid
Formula
C9H10O3
Exact mass
166.063
Mol weight
166.1739
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00960  Tropane, piperidine and pyridine alkaloid biosynthesis
map01064  Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid
map01110  Biosynthesis of secondary metabolites
Enzyme
Other DBs
CAS: 529-64-6 552-63-6
PubChem: 4633
ChEBI: 17000 30765
KNApSAcK: C00035885
3DMET: B04796
NIKKAJI: J237.326B J6.688E
KCF data Show

ATOM        12
            1   C8x C    16.1000  -19.3200
            2   C8x C    16.1000  -20.7200
            3   C8x C    17.3124  -21.4200
            4   C8x C    18.5249  -20.7200
            5   C8x C    18.5249  -19.3200
            6   C8y C    17.3124  -18.6200
            7   C1c C    17.3124  -17.2202
            8   C1b C    16.0832  -16.5103
            9   O1a O    14.8792  -17.2054
            10  C6a C    18.5080  -16.5298
            11  O6a O    19.6952  -17.2152
            12  O6a O    18.5082  -15.1203
BOND        12
            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     6   7 1
            8     7   8 1
            9     8   9 1
            10    7  10 1
            11   10  11 1
            12   10  12 2

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