EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:220541 - Austalide Q

ChEBI IDCHEBI:220541
ChEBI NameAustalide Q
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H34O7
Net Charge0
Average Mass458.551
Monoisotopic Mass458.23045
SMILESC=C(C)[C@@H]1[C@H](O)C[C@]2(C)Oc3c(C)c4c(c(OC)c3C[C@@H]2[C@@]1(C)CCC(=O)OC)C(=O)OC4
InChIInChI=1S/C26H34O7/c1-13(2)21-17(27)11-26(5)18(25(21,4)9-8-19(28)30-6)10-15-22(33-26)14(3)16-12-32-24(29)20(16)23(15)31-7/h17-18,21,27H,1,8-12H2,2-7H3/t17-,18-,21-,25-,26+/m1/s1
InChIKeyCBXSTKMOUSHXNO-OTVKKQIVSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (25855820)
ChEBI Ontology
Outgoing Relation(s)
Austalide Q (CHEBI:220541) is a xanthenes (CHEBI:38835)
IUPAC Name 
methyl 3-[(5aS,7R,8S,9S,9aR)-7-hydroxy-11-methoxy-4,5a,9-trimethyl-1-oxo-8-prop-1-en-2-yl-3,6,7,8,9a,10-hexahydro-[2]benzouro[5,6-b]chromen-9-yl]propanoate
Manual XrefsDatabases
28185036ChemSpider