EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:185604 - Garcimangosone A

ChEBI IDCHEBI:185604
ChEBI NameGarcimangosone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H28O6
Net Charge0
Average Mass460.526
Monoisotopic Mass460.18859
SMILESCC(C)=CCc1c2c(c(O)c3oc4cc5c(c(O)c4c(=O)c13)C=CC(C)(C)O5)C=CC(C)(C)O2
InChIInChI=1S/C28H28O6/c1-14(2)7-8-16-20-24(31)21-19(13-18-15(22(21)29)9-11-27(3,4)33-18)32-26(20)23(30)17-10-12-28(5,6)34-25(16)17/h7,9-13,29-30H,8H2,1-6H3
InChIKeySSITWAPGVBPANU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Garcimangosone A (CHEBI:185604) is a xanthones (CHEBI:51149)
IUPAC Name 
11,22-dihydroxy-7,7,18,18-tetramethyl-15-(3-methylbut-2-enyl)-2,6,17-trioxapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5(10),8,11,15,19,21-octaen-13-one
Manual XrefsDatabases
HMDB0036983HMDB
9049484ChemSpider