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CHEBI:227772 - 2',3'-seco-manginoid C

ChEBI IDCHEBI:227772
ChEBI Name2',3'-seco-manginoid C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H20O6
Net Charge0
Average Mass320.341
Monoisotopic Mass320.12599
SMILESCC(=O)CCC1=C(C)C[C@@]2(CC1=O)C(=O)[C@@H]1C[C@@](O)(CO1)C2=O
InChIInChI=1S/C17H20O6/c1-9-5-16(6-12(19)11(9)4-3-10(2)18)14(20)13-7-17(22,8-23-13)15(16)21/h13,22H,3-8H2,1-2H3/t13-,16+,17+/m0/s1
InChIKeyYDCQKSZOIKKFGM-IAOVAPTHSA-N
Species of MetaboliteComponentSourceComments
Phyllosticta capitalensis (ncbitaxon:121624) - PubMed (31185420)
ChEBI Ontology
Outgoing Relation(s)
2',3'-seco-manginoid C (CHEBI:227772) is a oxacycle (CHEBI:38104)
IUPAC Name 
(1R,3R,5S)-1-hydroxy-3'-methyl-2'-(3-oxobutyl)spiro[6-oxabicyclo[3.2.1]octane-3,5'-cyclohex-2-ene]-1',2,4-trione