EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:226926 - Sesquibenzopyran

ChEBI IDCHEBI:226926
ChEBI NameSesquibenzopyran
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O4
Net Charge0
Average Mass264.321
Monoisotopic Mass264.13616
SMILESCc1cc2c(cc1O)[C@]1(CO)C[C@@](O)(CC1(C)C)O2
InChIInChI=1S/C15H20O4/c1-9-4-12-10(5-11(9)17)14(8-16)7-15(18,19-12)6-13(14,2)3/h4-5,16-18H,6-8H2,1-3H3/t14-,15-/m1/s1
InChIKeyFRQZEMJHAGXPNB-HUUCEWRRSA-N
Species of MetaboliteComponentSourceComments
Hericium coralloides (ncbitaxon:100756) - PubMed (29773898)
ChEBI Ontology
Outgoing Relation(s)
Sesquibenzopyran (CHEBI:226926) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(1S,9R)-1-(hydroxymethyl)-5,11,11-trimethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9-diol
Manual XrefsDatabases
78441603ChemSpider