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CHEBI:175360 - Castaneiolide

ChEBI IDCHEBI:175360
ChEBI NameCastaneiolide
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H28O8
Net Charge0
Average Mass420.458
Monoisotopic Mass420.17842
SMILESCCCCCC1CC2=C(C(=O)OC2=O)C(O)C(O)(CCCC)CC2=C1C(=O)OC2=O
InChIInChI=1S/C22H28O8/c1-3-5-7-8-12-10-13-16(21(27)29-18(13)24)17(23)22(28,9-6-4-2)11-14-15(12)20(26)30-19(14)25/h12,17,23,28H,3-11H2,1-2H3
InChIKeyRKHYCZRKSYBVGA-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Castaneiolide (CHEBI:175360) has functional parent tetracarboxylic acid (CHEBI:35742)
Castaneiolide (CHEBI:175360) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
10-butyl-9,10-dihydroxy-2-pentyl-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone
Manual XrefsDatabases
HMDB0034876HMDB
325115ChemSpider