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CHEBI:217244 - Streptoglyceride D

ChEBI IDCHEBI:217244
ChEBI NameStreptoglyceride D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H25NO5
Net Charge0
Average Mass383.444
Monoisotopic Mass383.17327
SMILESC/C=C/C=C/C=C/[C@]12OCC[C@@H]3OC[C@](OC(=O)c4ccccc4N)(CO1)[C@@H]32
InChIInChI=1S/C22H25NO5/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/h2-10,12,18-19H,11,13-15,23H2,1H3/b3-2+,5-4+,12-8+/t18-,19+,21-,22-/m0/s1
InChIKeyHPYHHCISGKKBRS-JMQVMKAXSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (30259746)
ChEBI Ontology
Outgoing Relation(s)
Streptoglyceride D (CHEBI:217244) is a benzoate ester (CHEBI:36054)
IUPAC Name 
[(1S,4S,7S,11R)-7-[(1E,3E,5E)-hepta-1,3,5-trienyl]-2,6,8-trioxatricyclo[5.3.1.04,11]undecan-4-yl] 2-aminobenzoate
Manual XrefsDatabases
71048847ChemSpider