EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:225762 - Austalide V

ChEBI IDCHEBI:225762
ChEBI NameAustalide V
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H30O5
Net Charge0
Average Mass398.499
Monoisotopic Mass398.20932
SMILESCc1c2c(c(O)c3c1O[C@@]1(C)CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]1C3)C(=O)OC2
InChIInChI=1S/C24H30O5/c1-12-14-11-28-21(27)18(14)19(26)13-10-16-23(4)8-7-17(25)22(2,3)15(23)6-9-24(16,5)29-20(12)13/h15-16,26H,6-11H2,1-5H3/t15-,16+,23-,24-/m0/s1
InChIKeyIRHNVLPQCCHRLJ-UYADZXDASA-N
Species of MetaboliteComponentSourceComments
Penicillium rudallense (ncbitaxon:1562030) - PubMed (31710223)
ChEBI Ontology
Outgoing Relation(s)
Austalide V (CHEBI:225762) is a hydroxyisoflavans (CHEBI:76250)
IUPAC Name 
(1S,13R,14S,19R)-10-hydroxy-1,4,14,18,18-pentamethyl-2,7-dioxapentacyclo[11.8.0.03,11.05,9.014,19]henicosa-3(11),4,9-triene-8,17-dione
Manual XrefsDatabases
81361078ChemSpider