EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:211045 - Asperunguisone B

ChEBI IDCHEBI:211045
ChEBI NameAsperunguisone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14O4
Net Charge0
Average Mass222.240
Monoisotopic Mass222.08921
SMILESCc1c(O)cc2c(c1O)C(=O)[C@H](C)[C@@]2(C)O
InChIInChI=1S/C12H14O4/c1-5-8(13)4-7-9(10(5)14)11(15)6(2)12(7,3)16/h4,6,13-14,16H,1-3H3/t6-,12+/m0/s1
InChIKeyNSPXHQZWUDTFPI-PWCHPLFNSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1016/j.tet.2017.08.039)
ChEBI Ontology
Outgoing Relation(s)
Asperunguisone B (CHEBI:211045) is a indanones (CHEBI:24789)
IUPAC Name 
(2R,3R)-3,5,7-trihydroxy-2,3,6-trimethyl-2H-inden-1-one
Manual XrefsDatabases
78439180ChemSpider