COMPOUND: C01207
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Entry
C01207 Compound
Name
3-(3,4-Dihydroxyphenyl)lactate;
3,4-Dihydroxyphenyllactic acid
Formula
C9H10O5
Exact mass
198.0528
Mol weight
198.1727
Structure
Mol file
KCF file
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Other DBs
CAS:
23028-17-3
PubChem:
4430
ChEBI:
17807
KNApSAcK:
C00031720
3DMET:
B04781
NIKKAJI:
J493.965D
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KCF data
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ATOM 14
1 C8x C 12.5300 -12.9500
2 C8y C 12.5300 -14.3500
3 C8y C 13.7424 -15.0500
4 C8x C 14.9549 -14.3500
5 C8y C 14.9549 -12.9500
6 C8x C 13.7424 -12.2500
7 C1b C 16.1924 -12.2500
8 C1c C 17.4049 -12.9500
9 C6a C 18.6173 -12.2500
10 O6a O 19.8297 -12.9500
11 O1a O 17.4049 -14.3498
12 O6a O 18.6173 -10.8500
13 O1a O 11.3176 -15.0500
14 O1a O 13.7424 -16.4498
BOND 14
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 7 8 1
9 8 9 1
10 9 10 1
11 8 11 1
12 9 12 2
13 2 13 1
14 3 14 1
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