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(Q104396380)
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Daphnoretin methyl ether
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic coumarin
0 references
mass
366.073952788
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₁₄O₇
0 references
canonical SMILES
O=C1OC=2C=C(OC3=CC=4C=C(OC)C(OC)=CC4OC3=O)C=CC2C=C1
0 references
found in taxon
Ruta montana
3 references
stated in
A New Alkaloid, Montanine, from Ruta Montana
stated in
Alkaloids from Ruta montana
stated in
Constituents of the Aerial Parts of Leptadenia pyrotechnica
Ruta graveolen
1 reference
stated in
On further C3-substituted coumarin-derivatives from Ruta graveolens: daphnoretin and daphnoretin-methylether
Identifiers
InChI
InChI=1S/C20H14O7/c1-23-16-7-12-8-18(20(22)27-15(12)10-17(16)24-2)25-13-5-3-11-4-6-19(21)26-14(11)9-13/h3-10H,1-2H3
0 references
InChIKey
BCLNKNUUTUITEA-UHFFFAOYSA-N
0 references
CAS Registry Number
3749-38-0
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
5318544
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
ChEBI ID
172597
mapping relation type
exact match
1 reference
stated in
ChEBI release 2022-06-13
UniChem compound ID
32015756
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0039046
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BCLNKNUUTUITEA-UHFFFAOYSA-N
KNApSAcK ID
C00055391
1 reference
based on heuristic
inferred from InChIKey
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