EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:215504 - Asperlide C

ChEBI IDCHEBI:215504
ChEBI NameAsperlide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H22O6
Net Charge0
Average Mass382.412
Monoisotopic Mass382.14164
SMILESCC(C)(O)C1Cc2cc(C[C@H]3OC(=O)C(O)=C3c3ccc(O)cc3)ccc2O1
InChIInChI=1S/C22H22O6/c1-22(2,26)18-11-14-9-12(3-8-16(14)27-18)10-17-19(20(24)21(25)28-17)13-4-6-15(23)7-5-13/h3-9,17-18,23-24,26H,10-11H2,1-2H3/t17-,18?/m1/s1
InChIKeyDLXKJAGJQUQBCR-QNSVNVJESA-N
Species of MetaboliteComponentSourceComments
Aspergillus terreus (ncbitaxon:33178) - PubMed (30392953)
ChEBI Ontology
Outgoing Relation(s)
Asperlide C (CHEBI:215504) is a 1-benzofurans (CHEBI:38830)
IUPAC Name 
(2R)-4-hydroxy-3-(4-hydroxyphenyl)-2-[[2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzouran-5-yl]methyl]-2H-uran-5-one
Manual XrefsDatabases
71048515ChemSpider