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(Q104983928)
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English
quercetol C
group of stereoisomers with the chemical formula C₂₂H₂₄O₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
8C-substituted flavanone
1 reference
inferred from
8C-substituted flavanone
flavanone
0 references
mass
368.16237386800003
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₂₄O₅
0 references
canonical SMILES
O=C1C=2C(OC)=CC(OC)=C(C=CC(O)(C)C)C2OC(C=3C=CC=CC3)C1
0 references
isomeric SMILES
COc1cc(OC)c2c(c1/C=C/C(C)(C)O)OC(c1ccccc1)CC2=O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C22H24O5/c1-22(2,24)11-10-15-18(25-3)13-19(26-4)20-16(23)12-17(27-21(15)20)14-8-6-5-7-9-14/h5-11,13,17,24H,12H2,1-4H3/b11-10+
0 references
InChIKey
DKYFESWWIPJYTA-ZHACJKMWSA-N
0 references
PubChem CID
42607876
1 reference
matched by identifier from
InChIKey
InChIKey
DKYFESWWIPJYTA-ZHACJKMWSA-N
ChEBI ID
197162
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C22H24O5/c1-22(2,24)11-10-15-18(25-3)13-19(26-4)20-16(23)12-17(27-21(15)20)14-8-6-5-7-9-14/h5-11,13,17,24H,12H2,1-4H3/b11-10+
LIPID MAPS ID
LMPK12140180
1 reference
InChIKey
DKYFESWWIPJYTA-ZHACJKMWSA-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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