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(Q83084690)
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English
Protocatechuic acid, 5-bromo-
chemical compound
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No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
231.93712074
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₇H₅BrO₄
0 references
canonical SMILES
C1=C(C=C(C(=C1O)O)Br)C(=O)O
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found in taxon
Leathesia nana
2 references
stated in
Dibenzyl bromophenols with diverse dimerization patterns from the brown alga Leathesia nana
stated in
Bromophenols from the brown alga Leathesia nana
Leathesia marina
2 references
stated in
Dibenzyl bromophenols with diverse dimerization patterns from the brown alga Leathesia nana
stated in
Bromophenols from the brown alga Leathesia nana
Identifiers
InChI
InChI=1S/C7H5BrO4/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,9-10H,(H,11,12)
0 references
InChIKey
XCTQCHNCFZFEGN-UHFFFAOYSA-N
0 references
CAS Registry Number
61203-46-1
1 reference
InChIKey
XCTQCHNCFZFEGN-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=61203-46-1
PubChem CID
162935
1 reference
matched by identifier from
InChIKey
InChIKey
XCTQCHNCFZFEGN-UHFFFAOYSA-N
ChEBI ID
140242
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C7H5BrO4/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,9-10H,(H,11,12)
SureChEMBL ID
SCHEMBL3461631
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XCTQCHNCFZFEGN-UHFFFAOYSA-N
UniChem compound ID
22910792
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60210123
1 reference
matched by identifier from
InChIKey
InChIKey
XCTQCHNCFZFEGN-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID60132614
0 references
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