EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:204511 - Dhilirolide A

ChEBI IDCHEBI:204511
ChEBI NameDhilirolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28O9
Net Charge0
Average Mass472.490
Monoisotopic Mass472.17333
SMILESC[C@@H]1OC(=O)C23C4(CO4)[C@@]4(C)CC5(C6=CC(=O)OC(C)(C)[C@]67O[C@@H]7C[C@]25C)[C@@]2(C)OC13[C@@]4(O)O2
InChIInChI=1S/C25H28O9/c1-11-24-23(15(27)30-11)17(4)8-13-22(31-13)12(7-14(26)32-16(22,2)3)20(17)9-18(5,21(23)10-29-21)25(24,28)34-19(20,6)33-24/h7,11,13,28H,8-10H2,1-6H3/t11-,13+,17-,18+,19-,20?,21?,22-,23?,24?,25-/m0/s1
InChIKeyAFTWYBGCXZDDHS-CMWPFNIWSA-N
Species of MetaboliteComponentSourceComments
Talaromyces purpureogenus (ncbitaxon:1266744) - PubMed (21348535)
ChEBI Ontology
Outgoing Relation(s)
Dhilirolide A (CHEBI:204511) is a organic heterotricyclic compound (CHEBI:26979)
Dhilirolide A (CHEBI:204511) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(2S,4R,6S,12S,14R,15S,17S,20S)-15-hydroxy-2,7,7,14,17,20-hexamethylspiro[5,8,16,18,21-pentaoxaoctacyclo[12.8.1.01,19.02,12.04,6.06,11.012,17.015,19]tricos-10-ene-23,2'-oxirane]-9,22-dione