EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:227110 - Penicimutanolone

ChEBI IDCHEBI:227110
ChEBI NamePenicimutanolone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H41NO7
Net Charge0
Average Mass479.614
Monoisotopic Mass479.28830
SMILESCCCCCCC(C)CC(C)/C=C\C(=O)N[C@H]1CC2(OC1O)[C@@H]1O[C@@H]1C(O)(CC(C)=O)[C@@H]1O[C@@H]12
InChIInChI=1S/C26H41NO7/c1-5-6-7-8-9-15(2)12-16(3)10-11-19(29)27-18-14-26(34-24(18)30)22-20(32-22)25(31,13-17(4)28)21-23(26)33-21/h10-11,15-16,18,20-24,30-31H,5-9,12-14H2,1-4H3,(H,27,29)/b11-10-/t15?,16?,18-,20-,21+,22+,23-,24?,25?,26?/m0/s1
InChIKeyNXJZEVNYGRKUJJ-KFQVDFOZSA-N
Species of MetaboliteComponentSourceComments
Talaromyces purpureogenus (ncbitaxon:1266744) - PubMed (24681631)
ChEBI Ontology
Outgoing Relation(s)
Penicimutanolone (CHEBI:227110) is a oxacycle (CHEBI:38104)
IUPAC Name 
(Z)-N-[(1S,3R,3'S,5S,7R)-2',6-dihydroxy-6-(2-oxopropyl)spiro[4,8-dioxatricyclo[5.1.0.03,5]octane-2,5'-oxolane]-3'-yl]-4,6-dimethyldodec-2-enamide
Manual XrefsDatabases
78445615ChemSpider