EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:222410 - Dioxolide B

ChEBI IDCHEBI:222410
ChEBI NameDioxolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H13NO5
Net Charge0
Average Mass239.227
Monoisotopic Mass239.07937
SMILESCC(=O)OC[C@@H]1OC2=CC=C(C(N)=O)C[C@H]2O1
InChIInChI=1S/C11H13NO5/c1-6(13)15-5-10-16-8-3-2-7(11(12)14)4-9(8)17-10/h2-3,9-10H,4-5H2,1H3,(H2,12,14)/t9-,10-/m1/s1
InChIKeySNTNLZPQLRPWCA-NXEZZACHSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1002/jobm.3620360105)
ChEBI Ontology
Outgoing Relation(s)
Dioxolide B (CHEBI:222410) is a dioxolane (CHEBI:39430)
IUPAC Name 
[(2S,3aR)-5-carbamoyl-3a,4-dihydro-1,3-benzodioxol-2-yl]methyl acetate
Manual XrefsDatabases
78441200ChemSpider