CHEBI:203617 - Dhilirolide 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 Dhilirolide B
ChEBI ID CHEBI:203617
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/c1-12-24-23(16(27)30-12)18(4)8-7-13-14(9-15(26)31-17(13,2)3)21(18)10-19(5,22(23)11-29-22)25(24,28)33-20(21,6)32-24/h7,9,12,28H,8,10-11H2,1-6H3/t12-,18-,19+,20-,21?,22?,23?,24?,25-/m0/s1
InChIKey HKYMRYMDXIHYTJ-XQULWFFTSA-N
SMILES O=C1OC(C2=CC[C@]3(C4(C2=C1)[C@@]5(O[C@@]6(O)[C@@](C4)(C)C7(C38C(=O)O[C@H](C86O5)C)OC7)C)C)(C)C
Metabolite of Species Details
Talaromyces purpureogenus (NCBI:txid1266744) See: PubMed
ChEBI Ontology
Outgoing Dhilirolide B (CHEBI:203617) is a organic heterotricyclic compound (CHEBI:26979)
Dhilirolide B (CHEBI:203617) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(2S,11S,13R,14S,16S,19S)-14-hydroxy-2,6,6,13,16,19-hexamethylspiro[7,15,17,20-tetraoxaheptacyclo[11.8.1.01,18.02,11.05,10.011,16.014,18]docosa-4,9-diene-22,2'-oxirane]-8,21-dione