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(Q83039913)
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Oroselone
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
furanocoumarin
0 references
mass
226.06299418
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₁₀O₃
0 references
canonical SMILES
CC(=C)C1=CC2=C(O1)C=CC3=C2OC(=O)C=C3
0 references
found in taxon
Angelica archangelica
1 reference
stated in
Pentane Extracts of the Roots ofAngelica archangelicaL. from France
Angelica cincta
1 reference
stated in
Coumarins of the fruit ofAngelica cincta
Cnidium monnieri
1 reference
stated in
Fingerprint analysis of the fruits of Cnidium monnieri extract by high-performance liquid chromatography-diode array detection-electrospray ionization tandem mass spectrometry
Identifiers
InChI
InChI=1S/C14H10O3/c1-8(2)12-7-10-11(16-12)5-3-9-4-6-13(15)17-14(9)10/h3-7H,1H2,2H3
0 references
InChIKey
FQCPXIJRWHRHIP-UHFFFAOYSA-N
0 references
CAS Registry Number
1760-27-6
1 reference
InChIKey
FQCPXIJRWHRHIP-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=1760-27-6
PubChem CID
74477
1 reference
matched by identifier from
InChIKey
InChIKey
FQCPXIJRWHRHIP-UHFFFAOYSA-N
ChEBI ID
174165
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C14H10O3/c1-8(2)12-7-10-11(16-12)5-3-9-4-6-13(15)17-14(9)10/h3-7H,1H2,2H3
UniChem compound ID
1031181
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30170063
1 reference
matched by identifier from
InChIKey
InChIKey
FQCPXIJRWHRHIP-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID8092554
0 references
Human Metabolome Database ID
HMDB0033925
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FQCPXIJRWHRHIP-UHFFFAOYSA-N
KNApSAcK ID
C00057149
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FQCPXIJRWHRHIP-UHFFFAOYSA-N
UNII
MXB3B7X85P
1 reference
matched by identifier from
InChIKey
InChIKey
FQCPXIJRWHRHIP-UHFFFAOYSA-N
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