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CHEBI:198585 - Astellolide D

ChEBI IDCHEBI:198585
ChEBI NameAstellolide D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O4
Net Charge0
Average Mass266.337
Monoisotopic Mass266.15181
SMILESC[C@]1(CO)CCC[C@]2(C)C3=C(C[C@@H](O)[C@@H]12)C(=O)OC3
InChIInChI=1S/C15H22O4/c1-14(8-16)4-3-5-15(2)10-7-19-13(18)9(10)6-11(17)12(14)15/h11-12,16-17H,3-8H2,1-2H3/t11-,12+,14-,15-/m1/s1
InChIKeyBOJLRPXCHKKNCK-AYRXBEOTSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (25766910)
ChEBI Ontology
Outgoing Relation(s)
Astellolide D (CHEBI:198585) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(5R,5aR,6S,9aS)-5-hydroxy-6-(hydroxymethyl)-6,9a-dimethyl-4,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzouran-3-one
Manual XrefsDatabases
62399346ChemSpider