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(Q105264545)
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English
2-(2,4-Dihydroxyphenyl)-5,6-dimethoxybenzofuran
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic benzofuran
0 references
2-arylbenzofuran flavonoid
0 references
mass
286.084123548
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₁₄O₅
0 references
canonical SMILES
OC=1C=CC(=C(O)C1)C=2OC3=CC(OC)=C(OC)C=C3C2
0 references
found in taxon
Myroxylon balsamum
1 reference
stated in
Isoflavonoids from Myroxylon balsamum☆
Identifiers
InChI
InChI=1S/C16H14O5/c1-19-15-6-9-5-14(21-13(9)8-16(15)20-2)11-4-3-10(17)7-12(11)18/h3-8,17-18H,1-2H3
0 references
InChIKey
TTWXNRBRBJPLQH-UHFFFAOYSA-N
0 references
CAS Registry Number
67492-33-5
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
44260110
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
ChEBI ID
174728
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C16H14O5/c1-19-15-6-9-5-14(21-13(9)8-16(15)20-2)11-4-3-10(17)7-12(11)18/h3-8,17-18H,1-2H3
UniChem compound ID
32005150
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID101237871
1 reference
matched by identifier from
InChIKey
InChIKey
TTWXNRBRBJPLQH-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0034011
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
TTWXNRBRBJPLQH-UHFFFAOYSA-N
KNApSAcK ID
C00009806
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
TTWXNRBRBJPLQH-UHFFFAOYSA-N
LIPID MAPS ID
LMPK12160043
1 reference
InChIKey
TTWXNRBRBJPLQH-UHFFFAOYSA-N
stated in
LIPID MAPS
retrieved
17 April 2021
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
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