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CHEBI:188957 - Robustone

ChEBI IDCHEBI:188957
ChEBI NameRobustone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H16O6
Net Charge0
Average Mass364.353
Monoisotopic Mass364.09469
SMILESCC1(C)C=Cc2c(cc3occ(-c4ccc5c(c4)OCO5)c(=O)c3c2O)O1
InChIInChI=1S/C21H16O6/c1-21(2)6-5-12-15(27-21)8-17-18(19(12)22)20(23)13(9-24-17)11-3-4-14-16(7-11)26-10-25-14/h3-9,22H,10H2,1-2H3
InChIKeyKGSSUTVUTPLSQW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Staphylococcus Aureus (ncbitaxon:1280) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3859)
ChEBI Ontology
Outgoing Relation(s)
Robustone (CHEBI:188957) is a isoflavanones (CHEBI:38741)
IUPAC Name 
7-(1,3-benzodioxol-5-yl)-5-hydroxy-2,2-dimethylpyrano[3,2-g]chromen-6-one
Manual XrefsDatabases
4770829ChemSpider
LMPK12050245LIPID MAPS