EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:212715 - Ustusorane D

ChEBI IDCHEBI:212715
ChEBI NameUstusorane D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O4
Net Charge0
Average Mass276.332
Monoisotopic Mass276.13616
SMILESCO[C@H]1O[C@H](C)Cc2ccc3c(c21)OC(C(C)C)C3=O
InChIInChI=1S/C16H20O4/c1-8(2)14-13(17)11-6-5-10-7-9(3)19-16(18-4)12(10)15(11)20-14/h5-6,8-9,14,16H,7H2,1-4H3/t9-,14?,16+/m1/s1
InChIKeyOOXIYCFKVAWYJC-AVOZYFBZSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (19769341)
ChEBI Ontology
Outgoing Relation(s)
Ustusorane D (CHEBI:212715) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(7R,9S)-9-methoxy-7-methyl-2-propan-2-yl-7,9-dihydro-6H-uro[3,2-h]isochromen-3-one
Manual XrefsDatabases
24654754ChemSpider