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CHEBI:211699 - Aspinolide B

ChEBI IDCHEBI:211699
ChEBI NameAspinolide B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20O6
Net Charge0
Average Mass284.308
Monoisotopic Mass284.12599
SMILESC/C=C/C(=O)O[C@H]1/C=C\[C@@H](O)[C@@H](O)CCC(=O)O[C@@H]1C
InChIInChI=1S/C14H20O6/c1-3-4-13(17)20-12-7-5-10(15)11(16)6-8-14(18)19-9(12)2/h3-5,7,9-12,15-16H,6,8H2,1-2H3/b4-3+,7-5-/t9-,10-,11+,12+/m1/s1
InChIKeyUONWLSGBOITROJ-PUDJGIGCSA-N
ChEBI Ontology
Outgoing Relation(s)
Aspinolide B (CHEBI:211699) is a oxacycle (CHEBI:38104)
IUPAC Name 
[(2R,3S,4Z,6R,7S)-6,7-dihydroxy-2-methyl-10-oxo-2,3,6,7,8,9-hexahydrooxecin-3-yl] (E)-but-2-enoate
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