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(Q83037315)
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English
Graveolone
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
pyranocoumarins
0 references
mass
244.073558864
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₁₂O₄
0 references
canonical SMILES
CC1(CC(=O)C2=C(O1)C=C3C(=C2)C=CC(=O)O3)C
0 references
found in taxon
parsley
2 references
stated in
Differential response of cultured parsley cells to elicitors from two non-pathogenic strains of fungi. 1. Identification of induced products as coumarin derivatives
stated in
Linear furanocoumarins and graveolone from the common herb parsley
Deverra tortuosa
1 reference
stated in
New ester and furocoumarins from the roots of Pituranthos tortuosus
Identifiers
InChI
InChI=1S/C14H12O4/c1-14(2)7-10(15)9-5-8-3-4-13(16)17-11(8)6-12(9)18-14/h3-6H,7H2,1-2H3
0 references
InChIKey
WEDGVCZUPFZNDE-UHFFFAOYSA-N
0 references
CAS Registry Number
16499-05-1
1 reference
InChIKey
WEDGVCZUPFZNDE-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=16499-05-1
PubChem CID
177751
0 references
ChEBI ID
174258
mapping relation type
exact match
1 reference
stated in
ChEBI release 2022-06-13
UniChem compound ID
32024108
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10167830
0 references
DSSTOX compound identifier
DTXCID1090321
0 references
Human Metabolome Database ID
HMDB0033735
1 reference
based on heuristic
inferred from InChIKey
KNApSAcK ID
C00054134
1 reference
based on heuristic
inferred from InChIKey
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