EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:207383 - Chaetominin B

ChEBI IDCHEBI:207383
ChEBI NameChaetominin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H22O4
Net Charge0
Average Mass242.315
Monoisotopic Mass242.15181
SMILESCCC=CC=C(CO)[C@@H](O)[C@@H]1CC[C@H](CO)O1
InChIInChI=1S/C13H22O4/c1-2-3-4-5-10(8-14)13(16)12-7-6-11(9-15)17-12/h3-5,11-16H,2,6-9H2,1H3/t11-,12+,13-/m1/s1
InChIKeyKFBPVJSAIYMEDN-FRRDWIJNSA-N
Species of MetaboliteComponentSourceComments
Chaetomium (ncbitaxon:5149) - PubMed (31612620)
ChEBI Ontology
Outgoing Relation(s)
Chaetominin B (CHEBI:207383) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
(1R)-1-[(2S,5R)-5-(hydroxymethyl)oxolan-2-yl]-2-pent-2-enylidenepropane-1,3-diol