EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:226800 - Chaetosemin G

ChEBI IDCHEBI:226800
ChEBI NameChaetosemin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H11ClO4
Net Charge0
Average Mass242.658
Monoisotopic Mass242.03459
SMILESCc1c(O)c(Cl)c2c(c1O)C(=O)O[C@@H](C)C2
InChIInChI=1S/C11H11ClO4/c1-4-3-6-7(11(15)16-4)9(13)5(2)10(14)8(6)12/h4,13-14H,3H2,1-2H3/t4-/m0/s1
InChIKeySWPQOYCPQGXBPF-BYPYZUCNSA-N
Species of MetaboliteComponentSourceComments
Chaetomiumspecies (ncbitaxon:1769349) - PubMed (29662118)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Chaetosemin G (CHEBI:226800) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
(3S)-5-chloro-6,8-dihydroxy-3,7-dimethyl-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
78441600ChemSpider