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(Q82915999)
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English
8-[[(2R)-3,3-dimethyloxiran-2-yl]methyl]-5,7-dimethoxychromen-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Sibiricin
1 reference
based on heuristic
inferred from SMILES
mass
290.115423676
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
8-[[(2S)-3,3-Dimethyloxiran-2-yl]methyl]-5,7-dimethoxychromen-2-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₆H₁₈O₅
0 references
canonical SMILES
O=C1OC2=C(C=C1)C(OC)=CC(OC)=C2CC3OC3(C)C
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isomeric SMILES
CC1([C@H](O1)CC2=C(C=C(C3=C2OC(=O)C=C3)OC)OC)C
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found in taxon
Lomatium macrocarpum
1 reference
stated in
Coumarins and chromones from Lomatium macrocarpum
Merrillia caloxylon
1 reference
stated in
Coumarins of Merrillia caloxylon
Murraya paniculata
2 references
stated in
Constituents of the root bark of Murraya paniculata collected in Indonesia.
stated in
The chemical composition of Murraya paniculata. The structure of five new coumarins and one new alkaloid and the stereochemistry of murrangatin and related coumarins
Peucedanum macrocarpum
1 reference
stated in
Coumarins and chromones from Lomatium macrocarpum
Murraya caloxylon
1 reference
stated in
Coumarins of Merrillia caloxylon
Lomatium parryi
1 reference
stated in
Coumarins and chromones from Lomatium macrocarpum
Identifiers
InChI
InChI=1S/C16H18O5/c1-16(2)13(21-16)7-10-12(19-4)8-11(18-3)9-5-6-14(17)20-15(9)10/h5-6,8,13H,7H2,1-4H3/t13-/m1/s1
0 references
InChIKey
UOEQXGRDVIMHFZ-CYBMUJFWSA-N
0 references
CAS Registry Number
18196-01-5
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PubChem CID
176971
1 reference
matched by identifier from
InChIKey
InChIKey
UOEQXGRDVIMHFZ-CYBMUJFWSA-N
UniChem compound ID
52643044
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90939512
1 reference
matched by identifier from
InChIKey
InChIKey
UOEQXGRDVIMHFZ-CYBMUJFWSA-N
DSSTOX compound identifier
DTXCID601368007
0 references
KNApSAcK ID
C00060491
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UOEQXGRDVIMHFZ-CYBMUJFWSA-N
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