EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:181849 - 4-Hydroxymellein, (3S-cis)-

ChEBI IDCHEBI:181849
ChEBI Name4-Hydroxymellein, (3S-cis)-
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H10O4
Net Charge0
Average Mass194.186
Monoisotopic Mass194.05791
SMILESC[C@@H]1OC(=O)c2c(O)cccc2[C@@H]1O
InChIInChI=1S/C10H10O4/c1-5-9(12)6-3-2-4-7(11)8(6)10(13)14-5/h2-5,9,11-12H,1H3/t5-,9+/m0/s1
InChIKeySTSOHAOGZMLWFR-SSDLBLMSSA-N
ChEBI Ontology
Outgoing Relation(s)
4-Hydroxymellein, (3S-cis)- (CHEBI:181849) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(3S,4S)-4,8-dihydroxy-3-methyl-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
26608702ChemSpider
Registry NumbersSources
CAS:60132-20-9ChemIDplus