EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:205039 - Astellolide G

ChEBI IDCHEBI:205039
ChEBI NameAstellolide G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H28O8
Net Charge0
Average Mass444.480
Monoisotopic Mass444.17842
SMILESCC(=O)OC[C@@]1(C)CCC[C@]2(CO)C3=C(C[C@@H](OC(=O)c4ccc(O)cc4)[C@@H]12)C(=O)OC3
InChIInChI=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
InChIKeyRFTCCHRJHJWRKA-JDBUVZGPSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (25766910)
ChEBI Ontology
Outgoing Relation(s)
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