CHEBI:182555 - 7-Hydroxy-3-(2-hydroxy-propyl)-5-methyl-isochromen-1-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 7-Hydroxy-3-(2-hydroxy-propyl)-5-methyl-isochromen-1-one
ChEBI ID CHEBI:182555
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ChemicalBook:CB6286495, eMolecules:26750917
Download Molfile XML SDF
Formula C13H14O4
Net Charge 0
Average Mass 234.251
Monoisotopic Mass 234.08921
InChI InChI=1S/C13H14O4/c1-7-3-9(15)5-12-11(7)6-10(4-8(2)14)17-13(12)16/h3,5-6,8,14-15H,4H2,1-2H3
InChIKey QTIXOFRUBMRMTF-UHFFFAOYSA-N
SMILES O1C(CC(O)C)=CC2=C(C1=O)C=C(O)C=C2C
ChEBI Ontology
Outgoing 7-Hydroxy-3-(2-hydroxy-propyl)-5-methyl-isochromen-1-one (CHEBI:182555) is a isocoumarins (CHEBI:38758)
IUPAC Name
7-hydroxy-3-(2-hydroxypropyl)-5-methylisochromen-1-one
Manual Xref Database
22369696 ChemSpider
View more database links