EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:200818 - Macrosphelide G

ChEBI IDCHEBI:200818
ChEBI NameMacrosphelide G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O7
Net Charge0
Average Mass326.345
Monoisotopic Mass326.13655
SMILESC[C@@H]1CC(=O)O[C@@H](C)C/C=C\C(=O)O[C@@H](C)[C@H](O)/C=C\C(=O)O1
InChIInChI=1S/C16H22O7/c1-10-5-4-6-14(18)23-12(3)13(17)7-8-15(19)22-11(2)9-16(20)21-10/h4,6-8,10-13,17H,5,9H2,1-3H3/b6-4-,8-7-/t10-,11+,12-,13+/m0/s1
InChIKeyQTVMZKJQTJNPJL-DZQDPMDGSA-N
Species of MetaboliteComponentSourceComments
Periconia byssoides (ncbitaxon:1382551) - DOI (10.1016/s0040-4039(97)10198-8)
ChEBI Ontology
Outgoing Relation(s)
Macrosphelide G (CHEBI:200818) is a macrolide (CHEBI:25106)
IUPAC Name 
(4R,7Z,9R,10S,13Z,16S)-9-hydroxy-4,10,16-trimethyl-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione
Manual XrefsDatabases
78436680ChemSpider