EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:221601 - Podosporin A

ChEBI IDCHEBI:221601
ChEBI NamePodosporin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H36O5
Net Charge0
Average Mass440.580
Monoisotopic Mass440.25627
SMILESC/C=C/C(=O)[C@@H](C)C1=CC(=O)C2=C(O[C@@]34CC[C@H](O)C(C)(C)[C@@H]3CC[C@H](C)[C@@]4(C)C2)C1=O
InChIInChI=1S/C27H36O5/c1-7-8-19(28)16(3)17-13-20(29)18-14-26(6)15(2)9-10-21-25(4,5)22(30)11-12-27(21,26)32-24(18)23(17)31/h7-8,13,15-16,21-22,30H,9-12,14H2,1-6H3/b8-7+/t15-,16-,21-,22-,26+,27-/m0/s1
InChIKeyUNXQMRVMBDHLTF-ITVUFNAPSA-N
Species of MetaboliteComponentSourceComments
Podospora (ncbitaxon:5144) - DOI (10.1021/jo00254a028)
ChEBI Ontology
Outgoing Relation(s)
Podosporin A (CHEBI:221601) is a enone (CHEBI:51689)
IUPAC Name 
(1S,10R,11S,14S,16S)-16-hydroxy-10,11,15,15-tetramethyl-5-[(E,2S)-3-oxohex-4-en-2-yl]-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),5-diene-4,7-dione
Manual XrefsDatabases
75570368ChemSpider