EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:205551 - Guignardone Q

ChEBI IDCHEBI:205551
ChEBI NameGuignardone Q
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22O4
Net Charge0
Average Mass290.359
Monoisotopic Mass290.15181
SMILESCC(C)=C1CC[C@@]2(C)OC3=C(C[C@@H]12)C(=O)[C@]1(O)CO[C@H]3C1
InChIInChI=1S/C17H22O4/c1-9(2)10-4-5-16(3)12(10)6-11-14(21-16)13-7-17(19,8-20-13)15(11)18/h12-13,19H,4-8H2,1-3H3/t12-,13-,16+,17+/m0/s1
InChIKeyXJTFQYOAMSEGKF-WRFANHODSA-N
Species of MetaboliteComponentSourceComments
Guignardia (ncbitaxon:55180) - PubMed (26703548)
ChEBI Ontology
Outgoing Relation(s)
Guignardone Q (CHEBI:205551) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(1S,4R,8S,12R)-12-hydroxy-4-methyl-7-propan-2-ylidene-3,14-dioxatetracyclo[10.2.1.02,10.04,8]pentadec-2(10)-en-11-one
Manual XrefsDatabases
78441055ChemSpider