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CHEBI:210678 - Macrosphelide E

ChEBI IDCHEBI:210678
ChEBI NameMacrosphelide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O8
Net Charge0
Average Mass342.344
Monoisotopic Mass342.13147
SMILESC[C@H]1CC(=O)O[C@H](C)[C@@H](O)/C=C\C(=O)O[C@H](C)[C@@H](O)/C=C\C(=O)O1
InChIInChI=1S/C16H22O8/c1-9-8-16(21)24-11(3)13(18)5-7-15(20)23-10(2)12(17)4-6-14(19)22-9/h4-7,9-13,17-18H,8H2,1-3H3/b6-4-,7-5-/t9-,10+,11+,12-,13-/m0/s1
InChIKeyMJMMUATWVTYSFD-NBRCTUNOSA-N
Species of MetaboliteComponentSourceComments
Periconia byssoides (ncbitaxon:1382551) - DOI (10.1016/s0040-4039(97)10198-8)
ChEBI Ontology
Outgoing Relation(s)
Macrosphelide E (CHEBI:210678) is a macrolide (CHEBI:25106)
IUPAC Name 
(4S,7Z,9S,10R,13Z,15S,16R)-9,15-dihydroxy-4,10,16-trimethyl-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione
Manual XrefsDatabases
78438493ChemSpider