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English
hemiphloin
group of stereoisomers with the chemical formula C₂₁H₂₂O₁₀
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Statements
instance of
group of stereoisomers
0 references
subclass of
6C-substituted flavanone
1 reference
inferred from
6C-substituted flavanone
flavanone
0 references
mass
434.1212969039999
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₁H₂₂O₁₀
0 references
canonical SMILES
O=C1C2=C(O)C(=C(O)C=C2OC(C3=CC=C(O)C=C3)C1)C4OC(CO)C(O)C(O)C4O
0 references
isomeric SMILES
O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c21
0 references
Identifiers
InChI
InChI=1S/C21H22O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-4,6,12,14,17,19-23,25-29H,5,7H2/t12-,14?,17?,19?,20?,21?/m0/s1
0 references
InChIKey
QKPKGDDHOGIEOO-PXECAZGPSA-N
0 references
PubChem CID
42607890
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QKPKGDDHOGIEOO-PXECAZGPSA-N
UniChem compound ID
61015277
1 reference
stated in
UniChem
LIPID MAPS ID
LMPK12140223
1 reference
InChIKey
QKPKGDDHOGIEOO-PXECAZGPSA-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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