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(Q82880172)
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Ethyl brevifolincarboxylate
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
320.053217344
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₁₂O₈
0 references
canonical SMILES
O=C1OC=2C(=O)CC(C(=O)OCC)C2C=3C(O)=C(O)C(O)=CC13
0 references
found in taxon
Punica granatum
1 reference
stated in
Diverse Phytochemicals and Bioactivities in the Ancient Fruit and Modern Functional Food Pomegranate (Punica granatum).
Euphorbia hirta
1 reference
stated in
Isolation, Absolute Configuration, and Biological Activities of Chebulic Acid and Brevifolincarboxylic Acid Derivatives from Euphorbia hirta
Identifiers
InChI
InChI=1S/C15H12O8/c1-2-22-14(20)6-4-8(17)13-10(6)9-5(15(21)23-13)3-7(16)11(18)12(9)19/h3,6,16,18-19H,2,4H2,1H3
0 references
InChIKey
JSEPSLOCPQODTM-UHFFFAOYSA-N
0 references
CAS Registry Number
107646-82-2
0 references
PubChem CID
5487248
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JSEPSLOCPQODTM-UHFFFAOYSA-N
UniChem compound ID
171762
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50910387
1 reference
matched by identifier from
InChIKey
InChIKey
JSEPSLOCPQODTM-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID801339434
0 references
Human Metabolome Database ID
HMDB0303706
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JSEPSLOCPQODTM-UHFFFAOYSA-N
KNApSAcK ID
C00052901
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JSEPSLOCPQODTM-UHFFFAOYSA-N
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