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CHEBI:171674 - Austalide G

Default Structure
ChEBI IDCHEBI:171674
ChEBI NameAustalide G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H38O9
Net Charge0
Average Mass518.603
Monoisotopic Mass518.25158
SMILES[H][C@]12Cc3c(c(C)c4c(c3OC)C(=O)OC4)O[C@@]1(C)C[C@@H](OC(C)=O)[C@@]([H])(C(C)(C)O)[C@]2(C)CCC(=O)OC
InChIInChI=1S/C28H38O9/c1-14-17-13-35-25(31)21(17)23(34-8)16-11-19-27(5,10-9-20(30)33-7)24(26(3,4)32)18(36-15(2)29)12-28(19,6)37-22(14)16/h18-19,24,32H,9-13H2,1-8H3/t18-,19-,24+,27-,28+/m1/s1
InChIKeyZOYRWINBLNBGCP-CRFIOEGSSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
Austalide G (CHEBI:171674) is a xanthenes (CHEBI:38835)
IUPAC Name 
methyl 3-[(5aS,7R,8S,9R,9aR)-7-acetyloxy-8-(2-hydroxypropan-2-yl)-11-methoxy-4,5a,9-trimethyl-1-oxo-3,6,7,8,9a,10-hexahydro-[2]benzouro[5,6-b]chromen-9-yl]propanoate
Manual XrefsDatabases
58828599ChemSpider
Registry NumbersSources
CAS:96817-09-3ChemIDplus