EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:210688 - Cyafricanin E

ChEBI IDCHEBI:210688
ChEBI NameCyafricanin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O6
Net Charge0
Average Mass366.454
Monoisotopic Mass366.20424
SMILESCC(CO)C1=C2[C@H]3C[C@H]4O[C@](O)([C@H](O)[C@@H]4CO)[C@]3(C)CC[C@@]2(C)CC1=O
InChIInChI=1S/C20H30O6/c1-10(8-21)15-13(23)7-18(2)4-5-19(3)12(16(15)18)6-14-11(9-22)17(24)20(19,25)26-14/h10-12,14,17,21-22,24-25H,4-9H2,1-3H3/t10?,11-,12-,14-,17-,18+,19-,20-/m1/s1
InChIKeySVURHEVZWJOPTB-FVLYOGBQSA-N
Species of MetaboliteComponentSourceComments
Cyathus africanus (ncbitaxon:380649) - PubMed (30831199)
ChEBI Ontology
Outgoing Relation(s)
Cyafricanin E (CHEBI:210688) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1S,2R,5S,10R,12R,13S,14R)-1,14-dihydroxy-13-(hydroxymethyl)-8-(1-hydroxypropan-2-yl)-2,5-dimethyl-15-oxatetracyclo[10.2.1.02,10.05,9]pentadec-8-en-7-one