EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:201846 - 3-O-ethyl-lactarorufin A

ChEBI IDCHEBI:201846
ChEBI Name3-O-ethyl-lactarorufin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H26O4
Net Charge0
Average Mass294.391
Monoisotopic Mass294.18311
SMILESCCO[C@@]1(C)CC2=C(COC2=O)[C@@H](O)[C@@H]2CC(C)(C)C[C@@H]21
InChIInChI=1S/C17H26O4/c1-5-21-17(4)7-10-12(9-20-15(10)19)14(18)11-6-16(2,3)8-13(11)17/h11,13-14,18H,5-9H2,1-4H3/t11-,13+,14+,17+/m1/s1
InChIKeyCPIWQHDTPYKJDN-YSLLHCQFSA-N
Species of MetaboliteComponentSourceComments
Lactarius (ncbitaxon:34444) - DOI (10.1016/0031-9422(79)80074-6)
ChEBI Ontology
Outgoing Relation(s)
3-O-ethyl-lactarorufin A (CHEBI:201846) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(5S,5aS,8aR,9S)-5-ethoxy-9-hydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydro-1H-azuleno[5,6-c]uran-3-one
Manual XrefsDatabases
78441891ChemSpider