CHEBI:198741 - Dhilirolide N

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ChEBI Name Dhilirolide N
ChEBI ID CHEBI:198741
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H26O8
Net Charge 0
Average Mass 454.475
Monoisotopic Mass 454.16277
InChI InChI=1S/C25H26O8/c1-11-20(6)10-22(12(2)26)14-8-16(28)32-19(4,5)25(14)15(27)9-21(22,7)23(11)18(30)31-13(3)24(23,33-25)17(20)29/h8,13H,1,9-10H2,2-7H3/t13-,20+,21-,22-,23+,24+,25-/m0/s1
InChIKey IDKFYPBAOUXQTL-JECTXCMLSA-N
SMILES O=C1OC([C@]23O[C@@]45C(=O)[C@@]6(C[C@@](C2=C1)(C(=O)C)[C@]([C@]5(C(=O)O[C@H]4C)C6=C)(C)CC3=O)C)(C)C
Metabolite of Species Details
Talaromyces purpureogenus (NCBI:txid1266744) See: PubMed
ChEBI Ontology
Outgoing Dhilirolide N (CHEBI:198741) is a organic heterotricyclic compound (CHEBI:26979)
Dhilirolide N (CHEBI:198741) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1R,3R,5R,11R,14S,15R,18S)-5-acetyl-3,10,10,14,18-pentamethyl-20-methylidene-9,17,19-trioxahexacyclo[9.7.1.13,15.01,15.05,14.06,11]icos-6-ene-2,8,12,16-tetrone