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CHEBI:218676 - Penicimutanolone B

ChEBI IDCHEBI:218676
ChEBI NamePenicimutanolone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H41NO7
Net Charge0
Average Mass479.614
Monoisotopic Mass479.28830
SMILESCCCCCC[C@@H](C)C[C@@H](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?/m1/s1
InChIKeyNXJZEVNYGRKUJJ-FFJBMXIDSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (30243156)
ChEBI Ontology
Outgoing Relation(s)
Penicimutanolone B (CHEBI:218676) is a oxacycle (CHEBI:38104)
IUPAC Name 
(E,4R,6R)-N-[(1R,3S,3'R,5R,7S)-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