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CHEBI:223464 - Astellolide I

ChEBI IDCHEBI:223464
ChEBI NameAstellolide I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H26O6
Net Charge0
Average Mass386.444
Monoisotopic Mass386.17294
SMILESCC1(C)CCC[C@]2(CO)C3=C(C[C@@H](OC(=O)c4ccc(O)cc4)[C@@H]12)C(=O)OC3
InChIInChI=1S/C22H26O6/c1-21(2)8-3-9-22(12-23)16-11-27-20(26)15(16)10-17(18(21)22)28-19(25)13-4-6-14(24)7-5-13/h4-7,17-18,23-24H,3,8-12H2,1-2H3/t17-,18+,22+/m1/s1
InChIKeyPTADPNLCURKKPJ-FGSXEWAUSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (25766910)
ChEBI Ontology
Outgoing Relation(s)
Astellolide I (CHEBI:223464) is a naphthofuran (CHEBI:39270)
IUPAC Name 
[(5R,5aS,9aR)-9a-(hydroxymethyl)-6,6-dimethyl-3-oxo-4,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzouran-5-yl] 4-hydroxybenzoate