EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:218249 - Rel-(1S,2S,3S)-2,8-dihydroxy-6-methoxy-1,3-dimethyl-3,4-dihydro-1H-xanthen-9(2H)-one

ChEBI IDCHEBI:218249
ChEBI NameRel-(1S,2S,3S)-2,8-dihydroxy-6-methoxy-1,3-dimethyl-3,4-dihydro-1H-xanthen-9(2H)-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18O5
Net Charge0
Average Mass290.315
Monoisotopic Mass290.11542
SMILESCOc1cc(O)c2c(=O)c3c(oc2c1)C[C@H](C)[C@H](O)[C@H]3C
InChIInChI=1S/C16H18O5/c1-7-4-11-13(8(2)15(7)18)16(19)14-10(17)5-9(20-3)6-12(14)21-11/h5-8,15,17-18H,4H2,1-3H3/t7-,8-,15-/m0/s1
InChIKeyDBNJRVJZXJABCH-VQLIFVOLSA-N
Species of MetaboliteComponentSourceComments
Bambusicola massarinia (ncbitaxon:1238264) - PubMed (27352828)
ChEBI Ontology
Outgoing Relation(s)
Rel-(1S,2S,3S)-2,8-dihydroxy-6-methoxy-1,3-dimethyl-3,4-dihydro-1H-xanthen-9(2H)-one (CHEBI:218249) is a xanthones (CHEBI:51149)
IUPAC Name 
(1S,2S,3S)-2,8-dihydroxy-6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroxanthen-9-one
Manual XrefsDatabases
78441801ChemSpider