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CHEBI:208094 - Emervaridone B

ChEBI IDCHEBI:208094
ChEBI NameEmervaridone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28O4
Net Charge0
Average Mass392.495
Monoisotopic Mass392.19876
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@H]21)C3
InChIInChI=1S/C25H28O4/c1-13-17-18-23(5)8-7-16(26)21(2,3)15(23)6-9-24(18)11-22(4,19(17)27)10-14-20(28)29-12-25(13,14)24/h7-8,10,15,17-18H,1,6,9,11-12H2,2-5H3/t15-,17-,18-,22+,23-,24-,25-/m0/s1
InChIKeyARYKIJCLHMOALX-GIZQAJFUSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (28901763)
ChEBI Ontology
Outgoing Relation(s)
Emervaridone B (CHEBI:208094) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1R,2S,3S,8R,11S,13S,19S)-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
78438994ChemSpider