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3,4-Dimethoxyphthalic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
226.04773804
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₀H₁₀O₆
0 references
canonical SMILES
COC1=C(C(=C(C=C1)C(=O)O)C(=O)O)OC
0 references
found in taxon
Papaver somniferum
1 reference
stated in
Über wasserlösliche Inhaltsstoffe von Papaver somniferum L.
Identifiers
InChI
InChI=1S/C10H10O6/c1-15-6-4-3-5(9(11)12)7(10(13)14)8(6)16-2/h3-4H,1-2H3,(H,11,12)(H,13,14)
0 references
InChIKey
QSWJYWSRUJSAFH-UHFFFAOYSA-N
0 references
CAS Registry Number
518-90-1
1 reference
stated in
CAS Common Chemistry
retrieved
5 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=518-90-1
InChIKey
QSWJYWSRUJSAFH-UHFFFAOYSA-N
PubChem CID
68209
1 reference
matched by identifier from
InChIKey
InChIKey
QSWJYWSRUJSAFH-UHFFFAOYSA-N
ChEBI ID
174163
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C10H10O6/c1-15-6-4-3-5(9(11)12)7(10(13)14)8(6)16-2/h3-4H,1-2H3,(H,11,12)(H,13,14)
SureChEMBL ID
SCHEMBL582414
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QSWJYWSRUJSAFH-UHFFFAOYSA-N
UniChem compound ID
24177636
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30199739
1 reference
matched by identifier from
InChIKey
InChIKey
QSWJYWSRUJSAFH-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID40122230
0 references
NSC number
134534
0 references
Human Metabolome Database ID
HMDB0033842
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QSWJYWSRUJSAFH-UHFFFAOYSA-N
UNII
GF46H3Q77T
1 reference
matched by identifier from
InChIKey
InChIKey
QSWJYWSRUJSAFH-UHFFFAOYSA-N
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