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English
Casegravol
group of stereoisomers with the chemical formula C₁₅H₁₆O₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
biogenic coumarin
1 reference
inferred from
biogenic coumarin
mass
276.099773612
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₁₆O₅
0 references
canonical SMILES
O=C1OC2=C(C=C1)C=CC(OC)=C2C=CC(O)(C)CO
0 references
isomeric SMILES
COc1ccc2ccc(=O)oc2c1/C=C/C(C)(O)CO
1 reference
based on heuristic
inferred from InChI
found in taxon
Casearia graveolens
1 reference
stated in
Chemical Constituents of Casearia graveolens: Some Novel Reactions and the Preferred Molecular Conformation of the Major Coumarin, Micromelin
Identifiers
InChI
InChI=1S/C15H16O5/c1-15(18,9-16)8-7-11-12(19-2)5-3-10-4-6-13(17)20-14(10)11/h3-8,16,18H,9H2,1-2H3/b8-7+
0 references
InChIKey
XVVRFNCLKCYMPH-BQYQJAHWSA-N
0 references
PubChem CID
6440521
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
34602823
1 reference
stated in
UniChem
KNApSAcK ID
C00062867
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XVVRFNCLKCYMPH-BQYQJAHWSA-N
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