EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:214638 - Gymnodrimane C

ChEBI IDCHEBI:214638
ChEBI NameGymnodrimane C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O4
Net Charge0
Average Mass278.348
Monoisotopic Mass278.15181
SMILESCO[C@@H]1OC(=O)C2=CC[C@H]3C(C)(C)CCC[C@]3(C=O)[C@H]21
InChIInChI=1S/C16H22O4/c1-15(2)7-4-8-16(9-17)11(15)6-5-10-12(16)14(19-3)20-13(10)18/h5,9,11-12,14H,4,6-8H2,1-3H3/t11-,12+,14+,16+/m0/s1
InChIKeyMOGUWQHPHAYPTJ-KLZCAUPSSA-N
Species of MetaboliteComponentSourceComments
Gymnopilus (ncbitaxon:86085) - DOI (10.1016/j.phytol.2019.11.016)
ChEBI Ontology
Outgoing Relation(s)
Gymnodrimane C (CHEBI:214638) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(1R,5aS,9aR,9bR)-1-methoxy-6,6-dimethyl-3-oxo-5,5a,7,8,9,9b-hexahydro-1H-benzo[e][2]benzouran-9a-carbaldehyde