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CHEBI:220544 - Purpurogemutantin

ChEBI IDCHEBI:220544
ChEBI NamePurpurogemutantin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H34O6
Net Charge0
Average Mass418.530
Monoisotopic Mass418.23554
SMILESC=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@@]12OC(=O)C[C@@](O)(C(CO)=CC1=O)[C@H]2O
InChIInChI=1S/C24H34O6/c1-14-6-7-17-21(2,3)8-5-9-22(17,4)16(14)11-24-18(26)10-15(13-25)23(29,20(24)28)12-19(27)30-24/h10,16-17,20,25,28-29H,1,5-9,11-13H2,2-4H3/t16-,17-,20+,22+,23+,24+/m0/s1
InChIKeyKEWKLOYQCZOZIL-UNFUUYLFSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (22822371)
ChEBI Ontology
Outgoing Relation(s)
Purpurogemutantin (CHEBI:220544) is a δ-lactone (CHEBI:18946)
IUPAC Name 
(1S,5R,9R)-1-[[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-5,9-dihydroxy-6-(hydroxymethyl)-2-oxabicyclo[3.3.1]non-6-ene-3,8-dione
Manual XrefsDatabases
29214833ChemSpider