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(Q104172430)
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English
3-(1,1-Dimethylallyl)scopoletin
chemical compound
In more languages
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic coumarin
0 references
mass
260.104858992
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₁₆O₄
0 references
canonical SMILES
O=C1OC=2C=C(O)C(OC)=CC2C=C1C(C=C)(C)C
0 references
found in taxon
Pilocarpus grandiflorus
1 reference
stated in
A New Imidazole Alkaloid and Other Constituents from Pilocarpus grandiflorus and their Antifungal Activity
Antidesma montanum var. montanum
1 reference
stated in
Chemical Constituents from the Root ofAntidesma Pentandrumvar.Barbatum
Antidesma pentandrum var. barbatum
1 reference
stated in
Chemical Constituents from the Root ofAntidesma Pentandrumvar.Barbatum
Ruta graveolen
1 reference
stated in
High-resolution gas-chromatographic analysis of the secondary metabolites obtained by subcritical-fluid extraction from Colombian rue (Ruta graveolens L.).
Identifiers
InChI
InChI=1S/C15H16O4/c1-5-15(2,3)10-6-9-7-13(18-4)11(16)8-12(9)19-14(10)17/h5-8,16H,1H2,2-4H3
0 references
InChIKey
NEUWPSXOYGGGFO-UHFFFAOYSA-N
0 references
CAS Registry Number
19723-23-0
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
5377569
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
NEUWPSXOYGGGFO-UHFFFAOYSA-N
ChEBI ID
174419
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C15H16O4/c1-5-15(2,3)10-6-9-7-13(18-4)11(16)8-12(9)19-14(10)17/h5-8,16H,1H2,2-4H3
UniChem compound ID
31995826
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID801148839
1 reference
matched by identifier from
InChIKey
InChIKey
NEUWPSXOYGGGFO-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0034133
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NEUWPSXOYGGGFO-UHFFFAOYSA-N
KNApSAcK ID
C00060646
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NEUWPSXOYGGGFO-UHFFFAOYSA-N
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