CHEBI:212710 - Dhilirolide J

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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 J
ChEBI ID CHEBI:212710
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H28O7
Net Charge 0
Average Mass 440.492
Monoisotopic Mass 440.18350
InChI InChI=1S/C25H28O7/c1-12-19(5)11-22-15-10-16(26)30-18(3,4)14(15)8-9-20(22,6)23(12)17(27)29-13(2)24(23)25(19,28)32-21(22,7)31-24/h8,10,13,28H,1,9,11H2,2-7H3/t13-,19+,20+,21-,22+,23+,24-,25+/m0/s1
InChIKey UMKYYFZKSYATGO-LAQRIPCHSA-N
SMILES O=C1OC(C2=CC[C@@]3([C@@]4(C2=C1)[C@@]5(O[C@]6(O)[C@@](C4)(C)C([C@@]37C(=O)O[C@H]([C@]76O5)C)=C)C)C)(C)C
Metabolite of Species Details
Talaromyces purpureogenus (NCBI:txid1266744) See: PubMed
ChEBI Ontology
Outgoing Dhilirolide J (CHEBI:212710) is a organic heterotricyclic compound (CHEBI:26979)
Dhilirolide J (CHEBI:212710) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1R,2R,11S,13R,14R,16S,18R,19S)-14-hydroxy-2,6,6,13,16,19-hexamethyl-22-methylidene-7,15,17,20-tetraoxaheptacyclo[11.8.1.01,18.02,11.05,10.011,16.014,18]docosa-4,9-diene-8,21-dione