CHEBI:112454 - 2-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-1-yl)oxy]propanoic acid methyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-1-yl)oxy]propanoic acid methyl ester
ChEBI ID CHEBI:112454
Stars This entity has been manually annotated by a third party.
Supplier Information No supplier information found for this compound.
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Formula C18H20O5
Net Charge 0
Average Mass 316.349
Monoisotopic Mass 316.13107
InChI InChI=1S/C18H20O5/c1-10-8-14(22-11(2)17(19)21-3)16-12-6-4-5-7-13(12)18(20)23-15(16)9-10/h8-9,11H,4-7H2,1-3H3
InChIKey ZWNAXHWQBFOLGY-UHFFFAOYSA-N
SMILES CC1=CC2=C(C3=C(CCCC3)C(=O)O2)C(=C1)OC(C)C(=O)OC
ChEBI Ontology
Outgoing 2-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-1-yl)oxy]propanoic acid methyl ester (CHEBI:112454) is a coumarins (CHEBI:23403)
Manual Xref Database
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