EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:209780 - Cyclamenol B

ChEBI IDCHEBI:209780
ChEBI NameCyclamenol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H25NO3
Net Charge0
Average Mass327.424
Monoisotopic Mass327.18344
SMILESC[C@H]1/C=C\C=C\[C@@H]2O[C@H]3[C@H]4[C@H]2[C@H](C=C[C@H]4C[C@H]3O)/C=C/C(=O)NC1
InChIInChI=1S/C20H25NO3/c1-12-4-2-3-5-16-18-13(8-9-17(23)21-11-12)6-7-14-10-15(22)20(24-16)19(14)18/h2-9,12-16,18-20,22H,10-11H2,1H3,(H,21,23)/b4-2-,5-3+,9-8+/t12-,13+,14-,15+,16-,18-,19+,20+/m0/s1
InChIKeyUMVKTYCOYYLLPX-RQHWOOGZSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (31188618)
ChEBI Ontology
Outgoing Relation(s)
Cyclamenol B (CHEBI:209780) is a oxolanes (CHEBI:26912)
IUPAC Name 
(1S,2R,4R,7R,8E,13S,14Z,16E,18S,19R,20R)-2-hydroxy-13-methyl-21-oxa-11-azatetracyclo[16.2.1.04,20.07,19]henicosa-5,8,14,16-tetraen-10-one