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CHEBI:200858 - Peneciraistin C

ChEBI IDCHEBI:200858
ChEBI NamePeneciraistin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H26O9
Net Charge0
Average Mass398.408
Monoisotopic Mass398.15768
SMILESCC(=O)O[C@H]1CC[C@H](C)O[C@@]12OCC1=C(C[C@H](O)[C@@](C)(O)C1=O)[C@@H]2OC(C)=O
InChIInChI=1S/C19H26O9/c1-9-5-6-15(26-10(2)20)19(28-9)17(27-11(3)21)12-7-14(22)18(4,24)16(23)13(12)8-25-19/h9,14-15,17,22,24H,5-8H2,1-4H3/t9-,14-,15-,17-,18+,19-/m0/s1
InChIKeyMPVZXVXIZMIJFZ-NVBYNIPGSA-N
Species of MetaboliteComponentSourceComments
Penicillium raistrickii (ncbitaxon:69783) - DOI (10.1016/j.tet.2012.01.054)
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
Peneciraistin C (CHEBI:200858) is a azaphilone (CHEBI:50941)
IUPAC Name 
[(3S,3'S,4S,6S,6'S,7R)-4-acetyloxy-6,7-dihydroxy-6',7-dimethyl-8-oxospiro[1,4,5,6-tetrahydroisochromene-3,2'-oxane]-3'-yl] acetate
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34982015ChemSpider