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(Q105130614)
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English
4-Hydrocinnamoyl-2,2,5-trimethyl-4-cyclopentene-1,3-dione
chemical compound
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No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
270.125594436
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₁₈O₃
0 references
canonical SMILES
O=C(C=1C(=O)C(C(=O)C1C)(C)C)CCC=2C=CC=CC2
0 references
found in taxon
Myrica gale
2 references
stated in
Two new dihydrochalcones from Myrica gale
stated in
Some Unusual Flavonoids from Myrica gale L.
Identifiers
InChI
InChI=1S/C17H18O3/c1-11-14(16(20)17(2,3)15(11)19)13(18)10-9-12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3
0 references
InChIKey
JLCDLBNIBBAWCH-UHFFFAOYSA-N
0 references
PubChem CID
15747331
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JLCDLBNIBBAWCH-UHFFFAOYSA-N
ChEBI ID
185512
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C17H18O3/c1-11-14(16(20)17(2,3)15(11)19)13(18)10-9-12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3
UniChem compound ID
48119176
1 reference
stated in
UniChem
KNApSAcK ID
C00007978
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JLCDLBNIBBAWCH-UHFFFAOYSA-N
LIPID MAPS ID
LMPK12120611
1 reference
InChIKey
JLCDLBNIBBAWCH-UHFFFAOYSA-N
stated in
LIPID MAPS
retrieved
17 April 2021
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
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