CHEBI:94200 - LSM-4820

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-4820
ChEBI ID CHEBI:94200
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C25H22FNO5
Net Charge 0
Average Mass 435.445
Monoisotopic Mass 435.14820
InChI InChI=1S/C25H22FNO5/c1-30-21-15-17(16-22(31-2)24(21)32-3)10-13-23(28)27-14-6-8-19(25(27)29)12-11-18-7-4-5-9-20(18)26/h4-5,7-10,13,15-16H,6,14H2,1-3H3
InChIKey OSMBHPUZSJCCFM-UHFFFAOYSA-N
SMILES COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2CCC=C(C2=O)C#CC3=CC=CC=C3F
ChEBI Ontology
Outgoing LSM-4820 (CHEBI:94200) has functional parent cinnamic acid (CHEBI:27386)
LSM-4820 (CHEBI:94200) is a olefinic compound (CHEBI:78840)
Manual Xref Database
LSM-4820 LINCS
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