EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:203611 - Glaciapyrrole A

ChEBI IDCHEBI:203611
ChEBI NameGlaciapyrrole A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H27NO4
Net Charge0
Average Mass333.428
Monoisotopic Mass333.19401
SMILESCC(=C/C(=O)c1cccn1)/C=C/C(O)[C@@]1(C)CC[C@H](C(C)(C)O)O1
InChIInChI=1S/C19H27NO4/c1-13(12-15(21)14-6-5-11-20-14)7-8-16(22)19(4)10-9-17(24-19)18(2,3)23/h5-8,11-12,16-17,20,22-23H,9-10H2,1-4H3/b8-7+,13-12-/t16?,17-,19-/m1/s1
InChIKeyRAOJTUXTTFNKEN-XOUYOFRRSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (15921430)
ChEBI Ontology
Outgoing Relation(s)
Glaciapyrrole A (CHEBI:203611) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(2Z,4E)-6-hydroxy-6-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methyl-1-(1H-pyrrol-2-yl)hexa-2,4-dien-1-one
Manual XrefsDatabases
9431102ChemSpider