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CHEBI:208098 - Emervaridone C

ChEBI IDCHEBI:208098
ChEBI NameEmervaridone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28O5
Net Charge0
Average Mass408.494
Monoisotopic Mass408.19367
SMILESCC1(C)C(=O)C=C[C@@]2(C)[C@H]1CC[C@@]13C[C@@]4(C)C=C5C(=O)OC[C@]51[C@@]1(CO1)[C@H](C4=O)[C@@H]23
InChIInChI=1S/C25H28O5/c1-20(2)14-5-8-23-10-21(3)9-13-19(28)29-11-24(13,23)25(12-30-25)16(18(21)27)17(23)22(14,4)7-6-15(20)26/h6-7,9,14,16-17H,5,8,10-12H2,1-4H3/t14-,16-,17-,21+,22-,23-,24-,25+/m0/s1
InChIKeyRBSUXBXGDOOYDJ-NHEVNXHGSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (28901763)
ChEBI Ontology
Outgoing Relation(s)
Emervaridone C (CHEBI:208098) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1R,2S,3S,8R,11S,13S,19R,20R)-3,7,7,13-tetramethylspiro[17-oxahexacyclo[11.7.1.02,11.03,8.011,19.015,19]henicosa-4,14-diene-20,2'-oxirane]-6,16,21-trione
Manual XrefsDatabases
78438995ChemSpider