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CHEBI:198056 - Cordyanhydride A

ChEBI IDCHEBI:198056
ChEBI NameCordyanhydride A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H22O8
Net Charge0
Average Mass390.388
Monoisotopic Mass390.13147
SMILESCC/C=C/C1=C(C[C@@H](CC)CC2=C(CCC(=O)O)C(=O)OC2=O)C(=O)OC1=O
InChIInChI=1S/C20H22O8/c1-3-5-6-12-14(19(25)27-17(12)23)9-11(4-2)10-15-13(7-8-16(21)22)18(24)28-20(15)26/h5-6,11H,3-4,7-10H2,1-2H3,(H,21,22)/b6-5+/t11-/m1/s1
InChIKeyLESRNXLJDKOYNX-MVIFTORASA-N
Species of MetaboliteComponentSourceComments
Cordyceps (ncbitaxon:45234) - DOI (10.1016/s0040-4039(00)00008-3)
ChEBI Ontology
Outgoing Relation(s)
Cordyanhydride A (CHEBI:198056) has functional parent hexacarboxylic acid (CHEBI:59359)
Cordyanhydride A (CHEBI:198056) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
3-[4-[2-[[4-[(E)-but-1-enyl]-2,5-dioxouran-3-yl]methyl]butyl]-2,5-dioxouran-3-yl]propanoic acid
Manual XrefsDatabases
18976259ChemSpider