CHEBI:208098 - Emervaridone C

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Emervaridone C
ChEBI ID CHEBI:208098
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H28O5
Net Charge 0
Average Mass 408.494
Monoisotopic Mass 408.19367
InChI InChI=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
InChIKey RBSUXBXGDOOYDJ-NHEVNXHGSA-N
SMILES O=C1C=C[C@@]2([C@H]3[C@]4([C@@]56C(C(=O)OC5)=C[C@@](C4)(C)C([C@H]3[C@]76OC7)=O)CC[C@H]2C1(C)C)C
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
78438995 ChemSpider
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