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(Q105163886)
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English
(3R)-6,8-dihydroxy-3-(6-oxoundecyl)-3,4-dihydroisochromen-1-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3,4-Dihydro-6,8-dihydroxy-3-(6-oxoundecyl)-1H-2-benzopyran-1-one
1 reference
based on heuristic
inferred from SMILES
mass
348.193673996
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₈O₅
0 references
canonical SMILES
O=C1OC(CC=2C=C(O)C=C(O)C12)CCCCCC(=O)CCCCC
0 references
isomeric SMILES
CCCCCC(=O)CCCCC[C@@H]1Cc2cc(O)cc(O)c2C(=O)O1
0 references
found in taxon
Ononis natrix
1 reference
stated in
3,4-dihydroisocoumarins from Ononis natrix
Identifiers
InChI
InChI=1S/C20H28O5/c1-2-3-5-8-15(21)9-6-4-7-10-17-12-14-11-16(22)13-18(23)19(14)20(24)25-17/h11,13,17,22-23H,2-10,12H2,1H3/t17-/m1/s1
0 references
InChIKey
MHNBPSGXKPGDKQ-QGZVFWFLSA-N
0 references
PubChem CID
14539305
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MHNBPSGXKPGDKQ-QGZVFWFLSA-N
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