EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:212051 - Austalide U

ChEBI IDCHEBI:212051
ChEBI NameAustalide U
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H32O8
Net Charge0
Average Mass460.523
Monoisotopic Mass460.20972
SMILESCOc1c2c(c(C)c3c1C(=O)OC3)O[C@@]1(C)C[C@@H](O)[C@@]3(O)C(C)(C)OC(=O)CC[C@]3(C)[C@H]1C2
InChIInChI=1S/C25H32O8/c1-12-14-11-31-21(28)18(14)20(30-6)13-9-15-23(4)8-7-17(27)32-22(2,3)25(23,29)16(26)10-24(15,5)33-19(12)13/h15-16,26,29H,7-11H2,1-6H3/t15-,16-,23-,24+,25-/m1/s1
InChIKeyZVTVYIVILDSYIK-FXDCZVHISA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (27428982)
ChEBI Ontology
Outgoing Relation(s)
Austalide U (CHEBI:212051) is a xanthenes (CHEBI:38835)
IUPAC Name 
(1S,13R,14R,20R,21R)-20,21-dihydroxy-10-methoxy-1,4,14,19,19-pentamethyl-2,7,18-trioxapentacyclo[11.9.0.03,11.05,9.014,20]docosa-3(11),4,9-triene-8,17-dione
Manual XrefsDatabases
58197063ChemSpider