EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:215012 - Leptosphaerin B

ChEBI IDCHEBI:215012
ChEBI NameLeptosphaerin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H14O5
Net Charge0
Average Mass274.272
Monoisotopic Mass274.08412
SMILESC[C@@H]1CC(=O)c2c(coc2-c2c(O)cccc2O)[C@H]1O
InChIInChI=1S/C15H14O5/c1-7-5-11(18)12-8(14(7)19)6-20-15(12)13-9(16)3-2-4-10(13)17/h2-4,6-7,14,16-17,19H,5H2,1H3/t7-,14+/m1/s1
InChIKeyONTQFVIAKQPTQW-UOWDBTKRSA-N
Species of MetaboliteComponentSourceComments
Leptosphaeria (ncbitaxon:5021) - PubMed (20408555)
ChEBI Ontology
Outgoing Relation(s)
Leptosphaerin B (CHEBI:215012) is a 2-benzofurans (CHEBI:38831)
IUPAC Name 
(6R,7S)-3-(2,6-dihydroxyphenyl)-7-hydroxy-6-methyl-6,7-dihydro-5H-2-benzouran-4-one
Manual XrefsDatabases
24669732ChemSpider