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CHEBI:172627 - Calabaxanthone

ChEBI IDCHEBI:172627
ChEBI NameCalabaxanthone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H24O5
Net Charge0
Average Mass392.451
Monoisotopic Mass392.16237
SMILESCOc1ccc2oc3cc4c(c(O)c3c(=O)c2c1CC=C(C)C)C=CC(C)(C)O4
InChIInChI=1S/C24H24O5/c1-13(2)6-7-14-16(27-5)8-9-17-20(14)23(26)21-19(28-17)12-18-15(22(21)25)10-11-24(3,4)29-18/h6,8-12,25H,7H2,1-5H3
InChIKeyPLKQPRRVFTZBAE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Calabaxanthone (CHEBI:172627) is a xanthones (CHEBI:51149)
IUPAC Name 
5-hydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)pyrano[3,2-b]xanthen-6-one
Manual XrefsDatabases
HMDB0030655HMDB
302357ChemSpider