EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:218666 - Clearanol E

ChEBI IDCHEBI:218666
ChEBI NameClearanol E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18O5
Net Charge0
Average Mass266.293
Monoisotopic Mass266.11542
SMILESCOc1cc(O)c2c(c1C)[C@](C)([C@H](O)CO)CC2=O
InChIInChI=1S/C14H18O5/c1-7-10(19-3)4-8(16)12-9(17)5-14(2,13(7)12)11(18)6-15/h4,11,15-16,18H,5-6H2,1-3H3/t11-,14+/m1/s1
InChIKeySAVSYSUHSRODQH-RISCZKNCSA-N
Species of MetaboliteComponentSourceComments
Leptosphaeria (ncbitaxon:5021) - PubMed (28661451)
ChEBI Ontology
Outgoing Relation(s)
Clearanol E (CHEBI:218666) is a indanones (CHEBI:24789)
IUPAC Name 
(3R)-3-[(1S)-1,2-dihydroxyethyl]-7-hydroxy-5-methoxy-3,4-dimethyl-2H-inden-1-one