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CHEBI:213101 - Aspergide

ChEBI IDCHEBI:213101
ChEBI NameAspergide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H20O6
Net Charge0
Average Mass332.352
Monoisotopic Mass332.12599
SMILESCC[C@H]1/C=C2/C(=O)OC(=O)[C@]2(C)CC2=C(C(=O)OC2=O)[C@H](CC)C1
InChIInChI=1S/C18H20O6/c1-4-9-6-10(5-2)13-11(14(19)23-16(13)21)8-18(3)12(7-9)15(20)24-17(18)22/h7,9-10H,4-6,8H2,1-3H3/b12-7-/t9-,10-,18-/m1/s1
InChIKeyUQDSFYQHSIUJQU-VTIRPRIZSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (29211003)
ChEBI Ontology
Outgoing Relation(s)
Aspergide (CHEBI:213101) has functional parent tetracarboxylic acid (CHEBI:35742)
Aspergide (CHEBI:213101) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R,7E,9R,11R)-9,11-diethyl-3-methyl-5,14-dioxatricyclo[10.3.0.03,7]pentadeca-1(12),7-diene-4,6,13,15-tetrone
Manual XrefsDatabases
63002505ChemSpider