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CHEBI:216744 - Manginoid E

ChEBI IDCHEBI:216744
ChEBI NameManginoid E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22O5
Net Charge0
Average Mass306.358
Monoisotopic Mass306.14672
SMILESC[C@@H]1CC[C@@H]2[C@]13C[C@@]14C[C@]2(C)O[C@]1(O3)[C@]1(O)CO[C@@H](C1)C4=O
InChIInChI=1S/C17H22O5/c1-9-3-4-11-13(2)6-14-7-16(9,11)22-17(14,21-13)15(19)5-10(12(14)18)20-8-15/h9-11,19H,3-8H2,1-2H3/t9-,10+,11+,13+,14-,15-,16+,17-/m1/s1
InChIKeyOMYJHQHPTYBHRZ-OYSMOFQISA-N
Species of MetaboliteComponentSourceComments
Phyllosticta capitalensis (ncbitaxon:121624) - PubMed (29039958)
ChEBI Ontology
Outgoing Relation(s)
Manginoid E (CHEBI:216744) is a furofuran (CHEBI:47790)
IUPAC Name 
(1R,2R,5S,7R,9S,10R,13S,14S)-2-hydroxy-10,14-dimethyl-4,15,16-trioxahexacyclo[7.6.1.12,5.17,14.01,7.09,13]octadecan-6-one
Manual XrefsDatabases
78439336ChemSpider