CHEBI:225895 - Emeridone F

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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 Emeridone F
ChEBI ID CHEBI:225895
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H28O6
Net Charge 0
Average Mass 424.493
Monoisotopic Mass 424.18859
InChI InChI=1S/C25H28O6/c1-19(2)14-5-8-22-10-20(3)9-13-18(28)30-11-23(13,22)24(12-31-24)16(17(20)27)25(22,29)21(14,4)7-6-15(19)26/h6-7,9,14,16,29H,5,8,10-12H2,1-4H3/t14-,16-,20+,21-,22+,23-,24-,25+/m0/s1
InChIKey WZTSFFJSAFHTNQ-IFBMCOSOSA-N
SMILES O=C1C=C[C@@]2([C@@]3(O)[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 Emeridone F (CHEBI:225895) is a cyclohexenones (CHEBI:48953)
IUPAC Name
(1R,2R,3S,8R,11R,13S,19R,20S)-2-hydroxy-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