CHEBI:205039 - Astellolide G

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Astellolide G
ChEBI ID CHEBI:205039
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H28O8
Net Charge 0
Average Mass 444.480
Monoisotopic Mass 444.17842
InChI InChI=1S/C24H28O8/c1-14(26)31-13-23(2)8-3-9-24(12-25)18-11-30-22(29)17(18)10-19(20(23)24)32-21(28)15-4-6-16(27)7-5-15/h4-7,19-20,25,27H,3,8-13H2,1-2H3/t19-,20+,23-,24+/m1/s1
InChIKey RFTCCHRJHJWRKA-JDBUVZGPSA-N
SMILES O=C1OCC2=C1C[C@@H](OC(=O)C3=CC=C(O)C=C3)[C@@H]4[C@@]2(CCC[C@@]4(COC(=O)C)C)CO
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing Astellolide G (CHEBI:205039) is a naphthofuran (CHEBI:39270)
IUPAC Name
[(5R,5aS,6S,9aR)-6-(acetyloxymethyl)-9a-(hydroxymethyl)-6-methyl-3-oxo-4,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzouran-5-yl] 4-hydroxybenzoate