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(Q104985268)
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English
2,3-Di-O-methylellagic acid
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
330.03756728
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₁₀O₈
0 references
canonical SMILES
O=C1OC2=C(O)C(O)=CC=3C(=O)OC=4C(OC)=C(OC)C=C1C4C23
0 references
found in taxon
Castanopsis fissa
1 reference
stated in
Triterpene hexahydroxydiphenoyl esters and a quinic acid purpurogallin carbonyl ester from the leaves of Castanopsis fissa
Identifiers
InChI
InChI=1S/C16H10O8/c1-21-8-4-6-10-9-5(15(19)24-14(10)12(8)22-2)3-7(17)11(18)13(9)23-16(6)20/h3-4,17-18H,1-2H3
0 references
InChIKey
DMPZOHHHRRENRS-UHFFFAOYSA-N
0 references
CAS Registry Number
52600-48-3
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
5316858
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DMPZOHHHRRENRS-UHFFFAOYSA-N
ChEBI ID
175201
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C16H10O8/c1-21-8-4-6-10-9-5(15(19)24-14(10)12(8)22-2)3-7(17)11(18)13(9)23-16(6)20/h3-4,17-18H,1-2H3
UniChem compound ID
24854641
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID301309848
1 reference
matched by identifier from
InChIKey
InChIKey
DMPZOHHHRRENRS-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0041395
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DMPZOHHHRRENRS-UHFFFAOYSA-N
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