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CHEBI:211362 - Alternatain C

ChEBI IDCHEBI:211362
ChEBI NameAlternatain C
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SubmitterMetaboLights
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FormulaC18H18O9
Net Charge0
Average Mass378.333
Monoisotopic Mass378.09508
SMILESCOc1cc(O)c2c(c1)C1=C[C@@H]3O[C@](O)(C(=O)O)C[C@]3(O)C[C@]1(C)OC2=O
InChIInChI=1S/C18H18O9/c1-16-6-17(23)7-18(24,15(21)22)26-12(17)5-10(16)9-3-8(25-2)4-11(19)13(9)14(20)27-16/h3-5,12,19,23-24H,6-7H2,1-2H3,(H,21,22)/t12-,16-,17+,18-/m0/s1
InChIKeyVLBWUASOVMKUPK-BIMQEMHKSA-N
Species of MetaboliteComponentSourceComments
Alternaria (ncbitaxon:5598) - PubMed (31381956)
ChEBI Ontology
Outgoing Relation(s)
Alternatain C (CHEBI:211362) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(6aS,7aR,9S,10aS)-4,7a,9-trihydroxy-2-methoxy-6a-methyl-5-oxo-8,10a-dihydro-7H-[1]benzouro[5,6-c]isochromene-9-carboxylic acid