CHEBI:116178 - 3-(1,3-benzodioxol-5-yl)-1-(5-methyl-2-furanyl)-2-propen-1-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-(1,3-benzodioxol-5-yl)-1-(5-methyl-2-furanyl)-2-propen-1-one
ChEBI ID CHEBI:116178
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C15H12O4
Net Charge 0
Average Mass 256.254
Monoisotopic Mass 256.07356
InChI InChI=1S/C15H12O4/c1-10-2-6-13(19-10)12(16)5-3-11-4-7-14-15(8-11)18-9-17-14/h2-8H,9H2,1H3
InChIKey UQXMSWRHUCRNHF-UHFFFAOYSA-N
SMILES CC1=CC=C(O1)C(=O)C=CC2=CC3=C(C=C2)OCO3
ChEBI Ontology
Outgoing 3-(1,3-benzodioxol-5-yl)-1-(5-methyl-2-furanyl)-2-propen-1-one (CHEBI:116178) has functional parent cinnamic acid (CHEBI:27386)
3-(1,3-benzodioxol-5-yl)-1-(5-methyl-2-furanyl)-2-propen-1-one (CHEBI:116178) is a olefinic compound (CHEBI:78840)
Manual Xref Database
LSM-27634 LINCS
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