COMPOUND: C01839
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Entry
C01839 Compound
Name
Orsellinate;
o-Orsellinic acid;
2,4-Dihydroxy-6-methylbenzoic acid;
2,4-Dihydroxy-6-methylbenzoate;
4,6-Dihydroxy-o-toluic acid
Formula
C8H8O4
Exact mass
168.0423
Mol weight
168.15
Structure
Mol file
KCF file
DB search
Reaction
R00054
R02831
Enzyme
3.1.1.40
4.1.1.58
Brite
Lipids [BR:
br08002
]
PK Polyketides
PK13 Aromatic polyketides
PK1301 Monocyclic aromatic polyketides
C01839 Orsellinic acid
BRITE hierarchy
Other DBs
CAS:
480-64-8
PubChem:
4958
ChEBI:
32807
LIPIDMAPS:
LMPK13010001
KNApSAcK:
C00000487
PDB-CCD:
6X7
[
PDBj
]
NIKKAJI:
J6.167K
LinkDB
All DBs
KCF data
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ATOM 12
1 C8y C 22.1200 -15.0908
2 C8y C 20.9095 -15.7888
3 C8y C 23.3370 -15.7888
4 C6a C 22.1137 -13.7009
5 C8x C 20.9095 -17.1979
6 C1a C 19.7053 -15.0908
7 C8x C 23.3370 -17.1979
8 O1a O 24.5475 -15.0908
9 O6a O 23.3177 -12.9963
10 O6a O 20.9030 -13.0026
11 C8y C 22.1200 -17.9090
12 O1a O 22.1137 -19.3752
BOND 12
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 1
9 4 10 2
10 5 11 2
11 11 12 1
12 7 11 1
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