EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:209209 - Aspewentin I

ChEBI IDCHEBI:209209
ChEBI NameAspewentin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H26O3
Net Charge0
Average Mass302.414
Monoisotopic Mass302.18819
SMILESC=C[C@@]1(C)CCC2=C(C(=O)C=C3C(C)(C)CCC[C@]32O)[C@@H]1O
InChIInChI=1S/C19H26O3/c1-5-18(4)10-7-12-15(16(18)21)13(20)11-14-17(2,3)8-6-9-19(12,14)22/h5,11,16,21-22H,1,6-10H2,2-4H3/t16-,18-,19+/m0/s1
InChIKeyLPJQROAWMVXSMD-YTQUADARSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (30423951)
Roles Classification
Biological Role:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
ChEBI Ontology
Outgoing Relation(s)
Aspewentin I (CHEBI:209209) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
(4aR,7R,8R)-7-ethenyl-4a,8-dihydroxy-1,1,7-trimethyl-2,3,4,5,6,8-hexahydrophenanthren-9-one
Manual XrefsDatabases
70999823ChemSpider