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CHEBI:190840 - Austalide E

ChEBI IDCHEBI:190840
ChEBI NameAustalide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H36O10
Net Charge0
Average Mass532.586
Monoisotopic Mass532.23085
SMILES[H][C@]12Cc3c(c(C)c4c(c3OC)C(=O)OC4)O[C@@]1(C)C[C@@H](OC(C)=O)[C@]13O[C@](OC)(C[C@@H](O)[C@]21C)OC3(C)C
InChIInChI=1S/C28H36O10/c1-13-16-12-34-23(31)20(16)22(32-7)15-9-17-25(5,36-21(13)15)11-19(35-14(2)29)28-24(3,4)37-27(33-8,38-28)10-18(30)26(17,28)6/h17-19,30H,9-12H2,1-8H3/t17-,18+,19+,25-,26-,27-,28+/m0/s1
InChIKeyFGVDMOOUPMLQRT-OPQAPENCSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
Austalide E (CHEBI:190840) is a xanthenes (CHEBI:38835)
IUPAC Name 
[(1R,2R,4S,16R,17S,18R,20S)-18-hydroxy-13,20-dimethoxy-4,7,17,22,22-pentamethyl-11-oxo-5,10,21,23-tetraoxahexacyclo[18.2.1.01,17.04,16.06,14.08,12]tricosa-6(14),7,12-trien-2-yl] acetate
Manual XrefsDatabases
58828581ChemSpider
Registry NumbersSources
CAS:81543-05-7ChemIDplus