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(Q104995592)
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English
(-)-5,7-Dihydroxy-3-(4-hydroxybenzyl)-4-chromanone
group of stereoisomers with the chemical formula C₁₆H₁₄O₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
chromanone
1 reference
inferred from
chromanone
mass
286.084123548
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₁₄O₅
0 references
canonical SMILES
O=C1C=2C(O)=CC(O)=CC2OCC1CC3=CC=C(O)C=C3
0 references
found in taxon
Agave tequilana
1 reference
stated in
Homoisoflavanones from Agave tequilana Weber.
Identifiers
InChI
InChI=1S/C16H14O5/c17-11-3-1-9(2-4-11)5-10-8-21-14-7-12(18)6-13(19)15(14)16(10)20/h1-4,6-7,10,17-19H,5,8H2
0 references
InChIKey
FIASLUPJXGTCKM-UHFFFAOYSA-N
0 references
CAS Registry Number
107585-77-3
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
9971218
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
ChEBI ID
174735
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/c17-11-3-1-9(2-4-11)5-10-8-21-14-7-12(18)6-13(19)15(14)16(10)20/h1-4,6-7,10,17-19H,5,8H2
UniChem compound ID
31993074
1 reference
stated in
UniChem
NMRShiftDB structure ID
10017726
1 reference
matched by identifier from
InChIKey
InChIKey
FIASLUPJXGTCKM-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0038448
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FIASLUPJXGTCKM-UHFFFAOYSA-N
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