EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:226883 - Xyloketal H

ChEBI IDCHEBI:226883
ChEBI NameXyloketal H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O4
Net Charge0
Average Mass236.267
Monoisotopic Mass236.10486
SMILESC[C@H]1CO[C@]2(C)Oc3cc(O)cc(O)c3C[C@H]12
InChIInChI=1S/C13H16O4/c1-7-6-16-13(2)10(7)5-9-11(15)3-8(14)4-12(9)17-13/h3-4,7,10,14-15H,5-6H2,1-2H3/t7-,10+,13+/m0/s1
InChIKeyJRVROSQSWLPQMV-JVQVWZCXSA-N
Species of MetaboliteComponentSourceComments
Xylariaspecies 2508 (ncbitaxon:598750) - DOI (10.1007/s11172-006-0383-z)
ChEBI Ontology
Outgoing Relation(s)
Xyloketal H (CHEBI:226883) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(3R,3aR,9aR)-3,9a-dimethyl-2,3,3a,4-tetrahydrouro[2,3-b]chromene-5,7-diol
Manual XrefsDatabases
17214434ChemSpider