CHEBI:203681 - Dhilirolide K

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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 Dhilirolide K
ChEBI ID CHEBI:203681
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H28O8
Net Charge 0
Average Mass 456.491
Monoisotopic Mass 456.17842
InChI InChI=1S/C25H28O8/c1-11-22(6)9-15-14-8-17(28)33-21(4,5)18(14)16(27)10-23(15,7)24(11)20(30)31-12(2)25(24,19(22)29)32-13(3)26/h9,12,16,27H,1,8,10H2,2-7H3/t12-,16+,22-,23-,24+,25+/m0/s1
InChIKey PXSBFAYVIZOVQY-KJTLYPOWSA-N
SMILES O=C1OC(C=2[C@H](O)C[C@]3(C(C2C1)=C[C@@]4(C(=O)[C@]5([C@@]3(C(=O)O[C@H]5C)C4=C)OC(=O)C)C)C)(C)C
Metabolite of Species Details
Talaromyces purpureogenus (NCBI:txid1266744) See: PubMed
ChEBI Ontology
Outgoing Dhilirolide K (CHEBI:203681) is a steroid lactone (CHEBI:26766)
IUPAC Name
[(1R,2S,4R,13S,15R,16S)-4-hydroxy-2,6,6,13,16-pentamethyl-19-methylidene-8,14,18-trioxo-7,17-dioxapentacyclo[11.5.1.01,15.02,11.05,10]nonadeca-5(10),11-dien-15-yl] acetate
Manual Xref Database
78440169 ChemSpider
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