EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:228859 - Cratoxylone

ChEBI IDCHEBI:228859
ChEBI NameCratoxylone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H28O7
Net Charge0
Average Mass428.481
Monoisotopic Mass428.18350
SMILESCOc1c(O)cc2oc3cc(O)c(CCC(C)(C)O)c(O)c3c(=O)c2c1CC=C(C)C
InChIInChI=1S/C24H28O7/c1-12(2)6-7-14-19-17(11-16(26)23(14)30-5)31-18-10-15(25)13(8-9-24(3,4)29)21(27)20(18)22(19)28/h6,10-11,25-27,29H,7-9H2,1-5H3
InChIKeyJSXIWUDODLMCGG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Cratoxylone (CHEBI:228859) is a xanthones (CHEBI:51149)
IUPAC Name 
1,3,6-trihydroxy-2-(3-hydroxy-3-methylbutyl)-7-methoxy-8-(3-methylbut-2-enyl)xanthen-9-one
Manual XrefsDatabases
44210487ChemSpider
HMDB0304622HMDB