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CHEBI:208087 - Emervaridone A

ChEBI IDCHEBI:208087
ChEBI NameEmervaridone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H30O5
Net Charge0
Average Mass410.510
Monoisotopic Mass410.20932
SMILESC=C1[C@@H]2C(=O)[C@@]3(C)C[C@]4(CC[C@H]5C(C)(C)C(=O)C=C[C@]5(C)[C@H]24)[C@@]12COC(=O)[C@@H]2[C@H]3O
InChIInChI=1S/C25H30O5/c1-12-15-17-22(4)8-7-14(26)21(2,3)13(22)6-9-24(17)10-23(5,18(15)27)19(28)16-20(29)30-11-25(12,16)24/h7-8,13,15-17,19,28H,1,6,9-11H2,2-5H3/t13-,15-,16-,17-,19+,22-,23+,24-,25-/m0/s1
InChIKeyIWGWFWNCLYTAHJ-JWSIQUQCSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (28901763)
ChEBI Ontology
Outgoing Relation(s)
Emervaridone A (CHEBI:208087) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1R,2S,3S,8R,11S,13S,14R,15S,19S)-14-hydroxy-3,7,7,13-tetramethyl-20-methylidene-17-oxahexacyclo[11.7.1.02,11.03,8.011,19.015,19]henicos-4-ene-6,16,21-trione
Manual XrefsDatabases
78438993ChemSpider