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CHEBI:216722 - Manginoid A

ChEBI IDCHEBI:216722
ChEBI NameManginoid A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22O5
Net Charge0
Average Mass306.358
Monoisotopic Mass306.14672
SMILESC=C1C[C@@]2(C[C@H]3[C@H]1CC[C@@]3(C)O)C(=O)[C@@H]1C[C@@](O)(CO1)C2=O
InChIInChI=1S/C17H22O5/c1-9-5-16(6-11-10(9)3-4-15(11,2)20)13(18)12-7-17(21,8-22-12)14(16)19/h10-12,20-21H,1,3-8H2,2H3/t10-,11-,12-,15+,16+,17+/m0/s1
InChIKeyJTXJEPXSEBPJMI-VDTNLLOXSA-N
Species of MetaboliteComponentSourceComments
Phyllosticta capitalensis (ncbitaxon:121624) - PubMed (29039958)
ChEBI Ontology
Outgoing Relation(s)
Manginoid A (CHEBI:216722) is a oxacycle (CHEBI:38104)
IUPAC Name 
(1'R,3R,3aS,5S,5'S,7aR)-1',3-dihydroxy-3-methyl-7-methylidenespiro[1,2,3a,4,6,7a-hexahydroindene-5,3'-6-oxabicyclo[3.2.1]octane]-2',4'-dione
Manual XrefsDatabases
78439332ChemSpider