EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:205613 - Scedogiine A

ChEBI IDCHEBI:205613
ChEBI NameScedogiine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O2
Net Charge0
Average Mass234.339
Monoisotopic Mass234.16198
SMILESC[C@H]1C(=O)C=C2[C@H]1[C@@H]1[C@H](CC[C@@]2(C)O)C1(C)C
InChIInChI=1S/C15H22O2/c1-8-11(16)7-10-12(8)13-9(14(13,2)3)5-6-15(10,4)17/h7-9,12-13,17H,5-6H2,1-4H3/t8-,9-,12-,13-,15+/m0/s1
InChIKeyUIXOARANDHIDJF-GLBWXDBNSA-N
Species of MetaboliteComponentSourceComments
Scedosporium (ncbitaxon:41687) - DOI (10.1039/c6ra21142a)
ChEBI Ontology
Outgoing Relation(s)
Scedogiine A (CHEBI:205613) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(1aS,4R,7R,7aS,7bS)-4-hydroxy-1,1,4,7-tetramethyl-1a,2,3,7,7a,7b-hexahydrocyclopropa[e]azulen-6-one
Manual XrefsDatabases
60596868ChemSpider