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CHEBI:211350 - Alternatain A

ChEBI IDCHEBI:211350
ChEBI NameAlternatain A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16O6
Net Charge0
Average Mass280.276
Monoisotopic Mass280.09469
SMILESCOc1cc(O)c2c(c1)[C@]1(OC2=O)[C@H](O)[C@@H](O)C[C@@H]1C
InChIInChI=1S/C14H16O6/c1-6-3-10(16)12(17)14(6)8-4-7(19-2)5-9(15)11(8)13(18)20-14/h4-6,10,12,15-17H,3H2,1-2H3/t6-,10-,12+,14-/m0/s1
InChIKeyGNHRMMAHDXYVHN-KZASPQGLSA-N
Species of MetaboliteComponentSourceComments
Alternaria (ncbitaxon:5598) - PubMed (31381956)
ChEBI Ontology
Outgoing Relation(s)
Alternatain A (CHEBI:211350) is a benzofurans (CHEBI:35259)
IUPAC Name 
(2'R,3S,3'S,5'S)-2',3',7-trihydroxy-5-methoxy-5'-methylspiro[2-benzouran-3,1'-cyclopentane]-1-one