EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:220620 - Brefeldin D

ChEBI IDCHEBI:220620
ChEBI NameBrefeldin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O4
Net Charge0
Average Mass276.332
Monoisotopic Mass276.13616
SMILESC[C@H]1C/C=C\C=C\[C@@H]2CC(=O)C[C@H]2[C@H](O)/C=C/C(=O)O1
InChIInChI=1S/C16H20O4/c1-11-5-3-2-4-6-12-9-13(17)10-14(12)15(18)7-8-16(19)20-11/h2-4,6-8,11-12,14-15,18H,5,9-10H2,1H3/b3-2-,6-4+,8-7+/t11-,12+,14+,15+/m0/s1
InChIKeyFYDHFALTOZKRET-JNKDDRBLSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (28722499)
ChEBI Ontology
Outgoing Relation(s)
Brefeldin D (CHEBI:220620) is a macrolide (CHEBI:25106)
IUPAC Name 
(1R,2R,3E,7S,9Z,11E,13S)-2-hydroxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,9,11-triene-5,15-dione
Manual XrefsDatabases
78439556ChemSpider