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CHEBI:219877 - Astellolide A

ChEBI IDCHEBI:219877
ChEBI NameAstellolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H30O8
Net Charge0
Average Mass470.518
Monoisotopic Mass470.19407
SMILESCC(=O)OC[C@@]1(C)CCC[C@]2(COC(C)=O)C3=C(C[C@@H](OC(=O)c4ccccc4)[C@@H]12)C(=O)OC3
InChIInChI=1S/C26H30O8/c1-16(27)32-14-25(3)10-7-11-26(15-33-17(2)28)20-13-31-24(30)19(20)12-21(22(25)26)34-23(29)18-8-5-4-6-9-18/h4-6,8-9,21-22H,7,10-15H2,1-3H3/t21-,22+,25-,26+/m1/s1
InChIKeyISPOIRCRAAHBEV-GETZNYBYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus stellatus (ncbitaxon:1549217) - DOI (10.1016/s0040-4039(01)82862-8)
ChEBI Ontology
Outgoing Relation(s)
Astellolide A (CHEBI:219877) is a naphthofuran (CHEBI:39270)
IUPAC Name 
[(5R,5aS,6S,9aR)-6,9a-bis(acetyloxymethyl)-6-methyl-3-oxo-4,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzouran-5-yl] benzoate
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78443456ChemSpider