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English
6-Chlorocatechin
group of stereoisomers with the chemical formula C₁₅H₁₃ClO₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
324.0400658159999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₁₃ClO₆
0 references
canonical SMILES
ClC1=C(O)C=C2OC(C3=CC=C(O)C(O)=C3)C(O)CC2=C1O
0 references
Identifiers
InChI
InChI=1S/C15H13ClO6/c16-13-10(19)5-12-7(14(13)21)4-11(20)15(22-12)6-1-2-8(17)9(18)3-6/h1-3,5,11,15,17-21H,4H2
0 references
InChIKey
BHTBHJNGFQRAJI-UHFFFAOYSA-N
0 references
PubChem CID
22297292
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
BHTBHJNGFQRAJI-UHFFFAOYSA-N
ChEBI ID
178306
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C15H13ClO6/c16-13-10(19)5-12-7(14(13)21)4-11(20)15(22-12)6-1-2-8(17)9(18)3-6/h1-3,5,11,15,17-21H,4H2
UniChem compound ID
32010427
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0038283
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BHTBHJNGFQRAJI-UHFFFAOYSA-N
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