EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:198283 - (-)-discoipyrrole A

ChEBI IDCHEBI:198283
ChEBI Name(-)-discoipyrrole A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H23NO5
Net Charge0
Average Mass441.483
Monoisotopic Mass441.15762
SMILESCC(C)C[C@]12OC(=O)c3ccccc3N1C(c1ccc(O)cc1)=C(c1ccc(O)cc1)C2=O
InChIInChI=1S/C27H23NO5/c1-16(2)15-27-25(31)23(17-7-11-19(29)12-8-17)24(18-9-13-20(30)14-10-18)28(27)22-6-4-3-5-21(22)26(32)33-27/h3-14,16,29-30H,15H2,1-2H3/t27-/m1/s1
InChIKeyAUCVFNBQPWKHPK-HHHXNRCGSA-N
Species of MetaboliteComponentSourceComments
Shouchella hunanensis (ncbitaxon:766894) - PubMed (23984625)
ChEBI Ontology
Outgoing Relation(s)
(-)-discoipyrrole A (CHEBI:198283) is a stilbenoid (CHEBI:26776)
IUPAC Name 
(3aR)-1,2-bis(4-hydroxyphenyl)-3a-(2-methylpropyl)pyrrolo[1,2-a][3,1]benzoxazine-3,5-dione
Manual XrefsDatabases
78440002ChemSpider