EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:214750 - Aspersclerotiorone E

ChEBI IDCHEBI:214750
ChEBI NameAspersclerotiorone E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16O5
Net Charge0
Average Mass264.277
Monoisotopic Mass264.09977
SMILESCOc1cc2c(c(C)c1O)[C@@]1(C)O[C@@H](O2)[C@@H](C)C1=O
InChIInChI=1S/C14H16O5/c1-6-10-8(5-9(17-4)11(6)15)18-13-7(2)12(16)14(10,3)19-13/h5,7,13,15H,1-4H3/t7-,13+,14+/m0/s1
InChIKeyYMIDZTIERGUHJW-UQYDATMWSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (28228227)
ChEBI Ontology
Outgoing Relation(s)
Aspersclerotiorone E (CHEBI:214750) is a methoxybenzenes (CHEBI:51683)
IUPAC Name 
(1R,9R,10R)-4-hydroxy-5-methoxy-1,3,10-trimethyl-8,12-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-11-one
Manual XrefsDatabases
78442147ChemSpider