EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:199112 - Syringolide 1

ChEBI IDCHEBI:199112
ChEBI NameSyringolide 1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H20O6
Net Charge0
Average Mass272.297
Monoisotopic Mass272.12599
SMILESCCCCC[C@@]1(O)O[C@H]2[C@H](O)CO[C@]23COC(=O)[C@@H]31
InChIInChI=1S/C13H20O6/c1-2-3-4-5-13(16)9-11(15)17-7-12(9)10(19-13)8(14)6-18-12/h8-10,14,16H,2-7H2,1H3/t8-,9+,10+,12+,13-/m1/s1
InChIKeyKFHLOSLXXIXBMW-YTCQTTRASA-N
Species of MetaboliteComponentSourceComments
Pseudomonas syringae (ncbitaxon:317) - DOI (10.1021/jo00063a007)
ChEBI Ontology
Outgoing Relation(s)
Syringolide 1 (CHEBI:199112) is a furofuran (CHEBI:47790)
IUPAC Name 
(1R,4R,5S,7R,8S)-4,7-dihydroxy-7-pentyl-2,6,10-trioxatricyclo[6.3.0.01,5]undecan-9-one
Manual XrefsDatabases
9922401ChemSpider