EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:213921 - Ascherlactone B

ChEBI IDCHEBI:213921
ChEBI NameAscherlactone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H20O6
Net Charge0
Average Mass320.341
Monoisotopic Mass320.12599
SMILESCOc1cc(C)cc2c1C(=O)C[C@@](C)([C@H]1OC(=O)C[C@@H]1OC)O2
InChIInChI=1S/C17H20O6/c1-9-5-11(20-3)15-10(18)8-17(2,23-12(15)6-9)16-13(21-4)7-14(19)22-16/h5-6,13,16H,7-8H2,1-4H3/t13-,16-,17-/m0/s1
InChIKeyGPYSDRYJCWTLMC-JQFCIGGWSA-N
Species of MetaboliteComponentSourceComments
Aschersonia (ncbitaxon:100986) - PubMed (32376482)
ChEBI Ontology
Outgoing Relation(s)
Ascherlactone B (CHEBI:213921) is a chromones (CHEBI:23238)
IUPAC Name 
(2S)-5-methoxy-2-[(2S,3S)-3-methoxy-5-oxooxolan-2-yl]-2,7-dimethyl-3H-chromen-4-one