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CHEBI:204706 - Astellolide H

ChEBI IDCHEBI:204706
ChEBI NameAstellolide H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H26O6
Net Charge0
Average Mass386.444
Monoisotopic Mass386.17294
SMILESC[C@]1(CO)CCC[C@]2(C)C3=C(C[C@@H](OC(=O)c4ccc(O)cc4)[C@@H]12)C(=O)OC3
InChIInChI=1S/C22H26O6/c1-21(12-23)8-3-9-22(2)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+,21-,22-/m1/s1
InChIKeyKPUHAJPJYZHSQY-GMQQQROESA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (25766910)
ChEBI Ontology
Outgoing Relation(s)
Astellolide H (CHEBI:204706) is a naphthofuran (CHEBI:39270)
IUPAC Name 
[(5R,5aR,6S,9aS)-6-(hydroxymethyl)-6,9a-dimethyl-3-oxo-4,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzouran-5-yl] 4-hydroxybenzoate