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CHEBI:209317 - Neosetophomone A

ChEBI IDCHEBI:209317
ChEBI NameNeosetophomone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H32O5
Net Charge0
Average Mass400.515
Monoisotopic Mass400.22497
SMILESCC1=CO[C@]23C=C(O)C(=O)[C@]12C[C@H]1C[C@H](O)/C(C)=C/CC(C)(C)/C=C/C[C@]1(C)O3
InChIInChI=1S/C24H32O5/c1-15-7-10-21(3,4)8-6-9-22(5)17(11-18(15)25)12-23-16(2)14-28-24(23,29-22)13-19(26)20(23)27/h6-8,13-14,17-18,25-26H,9-12H2,1-5H3/b8-6+,15-7+/t17-,18+,22+,23+,24+/m1/s1
InChIKeyJDGBKIDDVUAAPL-LLEJUZHESA-N
Species of MetaboliteComponentSourceComments
Neosetophoma (ncbitaxon:798068) - PubMed (30620608)
ChEBI Ontology
Outgoing Relation(s)
Neosetophomone A (CHEBI:209317) is a furopyran (CHEBI:74927)
IUPAC Name 
(1S,3S,5E,9E,11S,13S,15S)-11,20-dihydroxy-3,7,7,10,16-pentamethyl-2,18-dioxatetracyclo[13.3.3.01,15.03,13]henicosa-5,9,16,19-tetraen-21-one