CHEBI:177606 - 4,6,8-trihydroxy-7-methoxy-3-methyl-3,4-dihydroisochromen-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 4,6,8-trihydroxy-7-methoxy-3-methyl-3,4-dihydroisochromen-1-one
ChEBI ID CHEBI:177606
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C11H12O6
Net Charge 0
Average Mass 240.211
Monoisotopic Mass 240.06339
InChI InChI=1S/C11H12O6/c1-4-8(13)5-3-6(12)10(16-2)9(14)7(5)11(15)17-4/h3-4,8,12-14H,1-2H3
InChIKey ZLLQQKITWRWKTD-UHFFFAOYSA-N
SMILES O1C(C(O)C=2C(C1=O)=C(O)C(OC)=C(O)C2)C
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in Sausage (ENVO:00002166). See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4,6,8-trihydroxy-7-methoxy-3-methyl-3,4-dihydroisochromen-1-one (CHEBI:177606) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name
4,6,8-trihydroxy-7-methoxy-3-methyl-3,4-dihydroisochromen-1-one
Manual Xref Database
22369819 ChemSpider
View more database links