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CHEBI:212038 - Austalide S

ChEBI IDCHEBI:212038
ChEBI NameAustalide S
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H32O5
Net Charge0
Average Mass400.515
Monoisotopic Mass400.22497
SMILESCc1c2c(c(O)c3c1O[C@]1(C)CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]1C3)C(=O)OC2
InChIInChI=1S/C24H32O5/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/h15-17,25-26H,6-11H2,1-5H3/t15-,16+,17+,23-,24+/m0/s1
InChIKeyXBGQHUQSZVWBPL-SBVMXMBTSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (27428982)
ChEBI Ontology
Outgoing Relation(s)
Austalide S (CHEBI:212038) is a hydroxyisoflavans (CHEBI:76250)
IUPAC Name 
(1R,13R,14S,17R,19R)-10,17-dihydroxy-1,4,14,18,18-pentamethyl-2,7-dioxapentacyclo[11.8.0.03,11.05,9.014,19]henicosa-3(11),4,9-trien-8-one
Manual XrefsDatabases
58197061ChemSpider