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CHEBI:212710 - Dhilirolide J

ChEBI IDCHEBI:212710
ChEBI NameDhilirolide J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28O7
Net Charge0
Average Mass440.492
Monoisotopic Mass440.18350
SMILESC=C1[C@]23C(=O)O[C@@H](C)[C@]24O[C@@]2(C)O[C@]4(O)[C@]1(C)C[C@]21C2=CC(=O)OC(C)(C)C2=CC[C@]13C
InChIInChI=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
InChIKeyUMKYYFZKSYATGO-LAQRIPCHSA-N
Species of MetaboliteComponentSourceComments
Talaromyces purpureogenus (ncbitaxon:1266744) - PubMed (24684453)
ChEBI Ontology
Outgoing Relation(s)
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