EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:215706 - Fuscoatrol A

ChEBI IDCHEBI:215706
ChEBI NameFuscoatrol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H26O4
Net Charge0
Average Mass282.380
Monoisotopic Mass282.18311
SMILESCO[C@@H]1/C=C(\C)C[C@H](O)[C@]2(O)[C@H](CC2(C)C)/C(CO)=C\1
InChIInChI=1S/C16H26O4/c1-10-5-12(20-4)7-11(9-17)13-8-15(2,3)16(13,19)14(18)6-10/h5,7,12-14,17-19H,6,8-9H2,1-4H3/b10-5+,11-7-/t12-,13-,14+,16-/m1/s1
InChIKeyIHRCOSCEJNPLSF-NNCCAFICSA-N
Species of MetaboliteComponentSourceComments
Cytosporaspecies (ncbitaxon:1715226) - DOI (10.1007/s11172-005-0167-x)
ChEBI Ontology
Outgoing Relation(s)
Fuscoatrol A (CHEBI:215706) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(1S,2S,4E,6R,7E,9R)-8-(hydroxymethyl)-6-methoxy-4,11,11-trimethylbicyclo[7.2.0]undeca-4,7-diene-1,2-diol
Manual XrefsDatabases
10480642ChemSpider