CHEBI:225876 - Emeridone B

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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 B
ChEBI ID CHEBI:225876
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H34O6
Net Charge 0
Average Mass 454.563
Monoisotopic Mass 454.23554
InChI InChI=1S/C27H34O6/c1-7-31-20(30)16-12-22(4)14-25-11-8-17-21(2,3)18(28)9-10-23(17,5)27(25)32-15-26(16,25)24(6,33-27)13-19(22)29/h9-10,12,17H,7-8,11,13-15H2,1-6H3/t17-,22+,23-,24-,25+,26+,27+/m0/s1
InChIKey WZXLBHHJLSHJCF-WFECAKBMSA-N
SMILES O=C1[C@@]2(C=C(C(=O)OCC)[C@]34[C@](C1)(O[C@]5([C@@]3(C2)CC[C@@H]6[C@@]5(C=CC(=O)C6(C)C)C)OC4)C)C
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing Emeridone B (CHEBI:225876) is a naphthofuran (CHEBI:39270)
IUPAC Name
ethyl (1R,2R,5S,10S,11R,13S,16S)-6,6,10,13,16-pentamethyl-7,15-dioxo-12,20-dioxahexacyclo[9.7.2.12,16.01,13.02,11.05,10]henicosa-8,17-diene-18-carboxylate