EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:217249 - Streptoglyceride C

ChEBI IDCHEBI:217249
ChEBI NameStreptoglyceride C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H27NO5
Net Charge0
Average Mass385.460
Monoisotopic Mass385.18892
SMILESC/C=C/C=C/CC[C@]12OCC[C@@H]3OC[C@](OC(=O)c4ccccc4N)(CO1)[C@@H]32
InChIInChI=1S/C22H27NO5/c1-2-3-4-5-8-12-22-19-18(11-13-26-22)25-14-21(19,15-27-22)28-20(24)16-9-6-7-10-17(16)23/h2-7,9-10,18-19H,8,11-15,23H2,1H3/b3-2+,5-4+/t18-,19+,21-,22-/m0/s1
InChIKeyVBMCKMSEFYEVBY-ZWBARIEYSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (30259746)
ChEBI Ontology
Outgoing Relation(s)
Streptoglyceride C (CHEBI:217249) is a benzoate ester (CHEBI:36054)
IUPAC Name 
[(1S,4S,7S,11R)-7-[(3E,5E)-hepta-3,5-dienyl]-2,6,8-trioxatricyclo[5.3.1.04,11]undecan-4-yl] 2-aminobenzoate
Manual XrefsDatabases
71048846ChemSpider