EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:202233 - Eutypellone B

ChEBI IDCHEBI:202233
ChEBI NameEutypellone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O6
Net Charge0
Average Mass364.438
Monoisotopic Mass364.18859
SMILESC=C[C@@]1(C)C[C@@H](O)C2=C(C(=O)[C@@]3(O)OC[C@@]24CCCC(C)(C)[C@@]43O)[C@H]1O
InChIInChI=1S/C20H28O6/c1-5-17(4)9-11(21)13-12(14(17)22)15(23)19(24)20(25)16(2,3)7-6-8-18(13,20)10-26-19/h5,11,14,21-22,24-25H,1,6-10H2,2-4H3/t11-,14-,17+,18+,19-,20-/m1/s1
InChIKeySKVSRCSHPJLAFK-YVSZKCIOSA-N
Species of MetaboliteComponentSourceComments
Eutypella (ncbitaxon:140192) - PubMed (21881261)
ChEBI Ontology
Outgoing Relation(s)
Eutypellone B (CHEBI:202233) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1R,3R,5R,6S,9S,10R)-5-ethenyl-3,6,9,10-tetrahydroxy-5,11,11-trimethyl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadec-2(7)-en-8-one
Manual XrefsDatabases
28289156ChemSpider