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CHEBI:200144 - Astellolide B

ChEBI IDCHEBI:200144
ChEBI NameAstellolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H30O9
Net Charge0
Average Mass486.517
Monoisotopic Mass486.18898
SMILESCC(=O)OC[C@@]1(C)CCC[C@]2(COC(C)=O)C3=C(C[C@@H](OC(=O)c4ccc(O)cc4)[C@@H]12)C(=O)OC3
InChIInChI=1S/C26H30O9/c1-15(27)33-13-25(3)9-4-10-26(14-34-16(2)28)20-12-32-24(31)19(20)11-21(22(25)26)35-23(30)17-5-7-18(29)8-6-17/h5-8,21-22,29H,4,9-14H2,1-3H3/t21-,22+,25-,26+/m1/s1
InChIKeyGRCAUCWQLNJYKG-GETZNYBYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus stellatus (ncbitaxon:1549217) - DOI (10.1016/s0040-4039(01)82862-8)
ChEBI Ontology
Outgoing Relation(s)
Astellolide B (CHEBI:200144) 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] 4-hydroxybenzoate
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78443450ChemSpider