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(Q104397398)
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English
8-(3-Oxo-1-butenyl)-5,7-dimethoxy-2H-1-benzopyran-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic coumarin
0 references
mass
274.084123548
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₁₄O₅
0 references
canonical SMILES
O=C1OC2=C(C=C1)C(OC)=CC(OC)=C2C=CC(=O)C
0 references
isomeric SMILES
COc1cc(OC)c2ccc(=O)oc2c1/C=C/C(C)=O
1 reference
based on heuristic
inferred from InChI
found in taxon
Murraya gleniei
1 reference
stated in
Gleinene and gleinadiene, 5,7-dimethoxycoumarins from Murraya gleinei root
Murraya paniculata
3 references
stated in
The isolation of a prenylcoumarin of chemotaxonomic significance from Murraya paniculata var. omphalocarpa
stated in
Prenylcoumarin Derivatives from the Leaves of An Indonesian Medicinal Plant Murraya paniculata(Rutaceae).
stated in
The isolation of a prenylcoumarin of chemotaxonomic significance from Murraya paniculata var. omphalocarpa
Toddalia asiatica
2 references
stated in
Studies on the Chemical Constituents of Rutaceous Plants. LXVI. The Chemical Constituents of Toddalia asiatica (L.) LAM. (T. aculeata PERS.). (1). Chemical Constituents of the Root Bark
stated in
Toddalenone: A new coumarin from Toddalia asiatica (T. aculeata). Structural establishment based on the chemical conversion of limettin into toddalenone.
Murraya alata
1 reference
stated in
Anti-inflammatory coumarin and benzocoumarin derivatives from Murraya alata
Zanthoxylum asiaticum
2 references
stated in
Studies on the Chemical Constituents of Rutaceous Plants. LXVI. The Chemical Constituents of Toddalia asiatica (L.) LAM. (T. aculeata PERS.). (1). Chemical Constituents of the Root Bark
stated in
Toddalenone: A new coumarin from Toddalia asiatica (T. aculeata). Structural establishment based on the chemical conversion of limettin into toddalenone.
Identifiers
InChI
InChI=1S/C15H14O5/c1-9(16)4-5-10-12(18-2)8-13(19-3)11-6-7-14(17)20-15(10)11/h4-8H,1-3H3/b5-4+
0 references
InChIKey
MNCJDGPGSIIWJA-SNAWJCMRSA-N
0 references
PubChem CID
101893838
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MNCJDGPGSIIWJA-SNAWJCMRSA-N
UniChem compound ID
96997552
1 reference
stated in
UniChem
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