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CHEBI:206436 - Alternatiol

ChEBI IDCHEBI:206436
ChEBI NameAlternatiol
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SubmitterMetaboLights
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FormulaC16H14O8
Net Charge0
Average Mass334.280
Monoisotopic Mass334.06887
SMILESCOC(=O)[C@@]1(O)C(=O)C=C2c3cc(OC)cc(O)c3C(=O)O[C@]21C
InChIInChI=1S/C16H14O8/c1-15-9(6-11(18)16(15,21)14(20)23-3)8-4-7(22-2)5-10(17)12(8)13(19)24-15/h4-6,17,21H,1-3H3/t15-,16+/m1/s1
InChIKeyJRDAVVGGFQXOJL-CVEARBPZSA-N
Species of MetaboliteComponentSourceComments
Alternaria (ncbitaxon:5598) - PubMed (31817301)
ChEBI Ontology
Outgoing Relation(s)
Alternatiol (CHEBI:206436) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
methyl (3S,3aR)-3,6-dihydroxy-8-methoxy-3a-methyl-2,5-dioxocyclopenta[c]isochromene-3-carboxylate