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CHEBI:206548 - Emervaridione

ChEBI IDCHEBI:206548
ChEBI NameEmervaridione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28O5
Net Charge0
Average Mass408.494
Monoisotopic Mass408.19367
SMILESC=C1[C@@H]2C(=O)[C@]3(C)C=C4C(=O)OC[C@]14[C@@]1(CC[C@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@]21O)C3
InChIInChI=1S/C25H28O5/c1-13-17-18(27)21(4)10-14-19(28)30-12-24(13,14)23(11-21)9-6-15-20(2,3)16(26)7-8-22(15,5)25(17,23)29/h7-8,10,15,17,29H,1,6,9,11-12H2,2-5H3/t15-,17+,21+,22-,23+,24-,25+/m0/s1
InChIKeyPVPGSCDIOLQZOG-HWNCAFQRSA-N
Species of MetaboliteComponentSourceComments
Aspergillus stellatus (ncbitaxon:1549217) - DOI (10.1016/j.tetlet.2011.09.079)
ChEBI Ontology
Outgoing Relation(s)
Emervaridione (CHEBI:206548) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1S,2R,3S,8R,11R,13S,19S)-2-hydroxy-3,7,7,13-tetramethyl-20-methylidene-17-oxahexacyclo[11.7.1.02,11.03,8.011,19.015,19]henicosa-4,14-diene-6,16,21-trione
Manual XrefsDatabases
78437871ChemSpider