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CHEBI:225871 - Emeridone A

ChEBI IDCHEBI:225871
ChEBI NameEmeridone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H30O5
Net Charge0
Average Mass410.510
Monoisotopic Mass410.20932
SMILESCC1=C[C@H]2C(=O)OC[C@@]23[C@@]2(CC[C@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@]24C[C@@]3(C)C(=O)O4)C1
InChIInChI=1S/C25H30O5/c1-14-10-15-18(27)29-13-24(15)22(5)12-25(30-19(22)28)21(4)8-7-17(26)20(2,3)16(21)6-9-23(24,25)11-14/h7-8,10,15-16H,6,9,11-13H2,1-5H3/t15-,16-,21-,22-,23+,24+,25+/m0/s1
InChIKeyXNNKZFPTGJMCHG-MAQTVKRESA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (30608689)
ChEBI Ontology
Outgoing Relation(s)
Emeridone A (CHEBI:225871) is a organic heterotricyclic compound (CHEBI:26979)
Emeridone A (CHEBI:225871) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,2S,7R,10R,14R,18R,19R)-2,6,6,12,19-pentamethyl-16,21-dioxahexacyclo[17.2.1.01,10.02,7.010,18.014,18]docosa-3,12-diene-5,15,20-trione