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(Q82118568)
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English
7-Methoxy-2H-1,3-benzodioxole-5-carboxylic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
196.037173356
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₉H₈O₅
0 references
canonical SMILES
COC1=CC(=CC2=C1OCO2)C(=O)O
0 references
found in taxon
Cinnamomum subavenium
1 reference
stated in
Norcadinane sesquiterpene from the roots of Cinnamomum subavenium
Identifiers
InChI
InChI=1S/C9H8O5/c1-12-6-2-5(9(10)11)3-7-8(6)14-4-13-7/h2-3H,4H2,1H3,(H,10,11)
0 references
InChIKey
AOHAPDDBNAPPIN-UHFFFAOYSA-N
0 references
CAS Registry Number
526-34-1
1 reference
InChIKey
AOHAPDDBNAPPIN-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=526-34-1
PubChem CID
607309
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
AOHAPDDBNAPPIN-UHFFFAOYSA-N
ChEBI ID
173960
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C9H8O5/c1-12-6-2-5(9(10)11)3-7-8(6)14-4-13-7/h2-3H,4H2,1H3,(H,10,11)
UniChem compound ID
22648793
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60345823
1 reference
matched by identifier from
InChIKey
InChIKey
AOHAPDDBNAPPIN-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID10296896
0 references
Human Metabolome Database ID
HMDB0030800
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AOHAPDDBNAPPIN-UHFFFAOYSA-N
KNApSAcK ID
C00057423
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AOHAPDDBNAPPIN-UHFFFAOYSA-N
UNII
RRP636WWT7
1 reference
matched by identifier from
InChIKey
InChIKey
AOHAPDDBNAPPIN-UHFFFAOYSA-N
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