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CHEBI:172748 - Austalide C

ChEBI IDCHEBI:172748
ChEBI NameAustalide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H38O11
Net Charge0
Average Mass574.623
Monoisotopic Mass574.24141
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](OC(C)=O)[C@]21C)OC3(C)C
InChIInChI=1S/C30H38O11/c1-14-18-13-36-25(33)22(18)24(34-8)17-10-19-27(6,39-23(14)17)11-21(38-16(3)32)30-26(4,5)40-29(35-9,41-30)12-20(28(19,30)7)37-15(2)31/h19-21H,10-13H2,1-9H3/t19-,20+,21+,27-,28-,29-,30+/m0/s1
InChIKeyCSYWTGORJHMPOT-NBXIOWKLSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Austalide C (CHEBI:172748) is a xanthenes (CHEBI:38835)
IUPAC Name 
[(1R,2R,4S,16R,17S,18R,20S)-18-acetyloxy-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
58828580ChemSpider
Registry NumbersSources
CAS:81543-03-5ChemIDplus