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CHEBI:191653 - Austalide B

ChEBI IDCHEBI:191653
ChEBI NameAustalide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H34O8
Net Charge0
Average Mass474.550
Monoisotopic Mass474.22537
SMILES[H][C@]12Cc3c(c(C)c4c(c3OC)C(=O)OC4)O[C@@]1(C)C[C@@H](O)[C@]13O[C@](OC)(CC[C@]21C)OC3(C)C
InChIInChI=1S/C26H34O8/c1-13-15-12-31-21(28)18(15)20(29-6)14-10-16-23(4)8-9-25(30-7)33-22(2,3)26(23,34-25)17(27)11-24(16,5)32-19(13)14/h16-17,27H,8-12H2,1-7H3/t16-,17-,23-,24+,25+,26-/m1/s1
InChIKeyZVFMDVFPBVFGPG-BLQNBILZSA-N
Species of MetaboliteComponentSourceComments
Solanum tuberosum (ncbitaxon:4113) leaf (BTO:0000713) MetaboLights (MTBLS4365)
ChEBI Ontology
Outgoing Relation(s)
Austalide B (CHEBI:191653) is a xanthenes (CHEBI:38835)
IUPAC Name 
(1R,2R,4S,16R,17R,20S)-2-hydroxy-13,20-dimethoxy-4,7,17,22,22-pentamethyl-5,10,21,23-tetraoxahexacyclo[18.2.1.01,17.04,16.06,14.08,12]tricosa-6(14),7,12-trien-11-one
Manual XrefsDatabases
138997ChemSpider
Registry NumbersSources
CAS:81543-02-4ChemIDplus