EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:176215 - Neoannonin B

ChEBI IDCHEBI:176215
ChEBI NameNeoannonin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H66O6
Net Charge0
Average Mass606.929
Monoisotopic Mass606.48594
SMILESCCCCCCCCCCCCC(O)C1CCC(C2CCC(C(O)CCCCCCCCCCC3=CC(C)OC3=O)O2)O1
InChIInChI=1S/C37H66O6/c1-3-4-5-6-7-8-9-13-16-19-22-31(38)33-24-26-35(42-33)36-27-25-34(43-36)32(39)23-20-17-14-11-10-12-15-18-21-30-28-29(2)41-37(30)40/h28-29,31-36,38-39H,3-27H2,1-2H3
InChIKeySOAPDULPHQDKCM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Neoannonin B (CHEBI:176215) is a polyketide (CHEBI:26188)
IUPAC Name 
4-[11-hydroxy-11-[5-[5-(1-hydroxytridecyl)oxolan-2-yl]oxolan-2-yl]undecyl]-2-methyl-2H-uran-5-one
Manual XrefsDatabases
HMDB0037117HMDB
35014375ChemSpider