CHEBI:125148 - 3-[5-[2-[4-(2-carboxyethenyl)-3-oxo-5-propyl-2-furanyl]propan-2-yl]-4-oxo-2-propyl-3-furanyl]-2-propenoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-[5-[2-[4-(2-carboxyethenyl)-3-oxo-5-propyl-2-furanyl]propan-2-yl]-4-oxo-2-propyl-3-furanyl]-2-propenoic acid
ChEBI ID CHEBI:125148
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C23H28O8
Net Charge 0
Average Mass 432.465
Monoisotopic Mass 432.17842
InChI InChI=1S/C23H28O8/c1-5-7-15-13(9-11-17(24)25)19(28)21(30-15)23(3,4)22-20(29)14(10-12-18(26)27)16(31-22)8-6-2/h9-12,21-22H,5-8H2,1-4H3,(H,24,25)(H,26,27)
InChIKey KWMYIEZXXJZBPU-UHFFFAOYSA-N
SMILES CCCC1=C(C(=O)C(O1)C(C)(C)C2C(=O)C(=C(O2)CCC)C=CC(=O)O)C=CC(=O)O
ChEBI Ontology
Outgoing 3-[5-[2-[4-(2-carboxyethenyl)-3-oxo-5-propyl-2-furanyl]propan-2-yl]-4-oxo-2-propyl-3-furanyl]-2-propenoic acid (CHEBI:125148) is a oxolanes (CHEBI:26912)
Manual Xref Database
LSM-36612 LINCS
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