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CHEBI:211368 - Alternatain D

ChEBI IDCHEBI:211368
ChEBI NameAlternatain D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H20O9
Net Charge0
Average Mass380.349
Monoisotopic Mass380.11073
SMILESCOc1cc(O)c2c(c1)C1=C[C@](O)(C[C@H](O)C(=O)O)[C@@H](O)C[C@]1(C)OC2=O
InChIInChI=1S/C18H20O9/c1-17-7-13(21)18(25,6-12(20)15(22)23)5-10(17)9-3-8(26-2)4-11(19)14(9)16(24)27-17/h3-5,12-13,19-21,25H,6-7H2,1-2H3,(H,22,23)/t12-,13-,17-,18-/m0/s1
InChIKeyWIZGYSRDXJJKDZ-LUVWLHFXSA-N
Species of MetaboliteComponentSourceComments
Alternaria (ncbitaxon:5598) - PubMed (31381956)
ChEBI Ontology
Outgoing Relation(s)
Alternatain D (CHEBI:211368) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(2S)-3-[(2R,3S,4aS)-2,3,7-trihydroxy-9-methoxy-4a-methyl-6-oxo-3,4-dihydrobenzo[c]chromen-2-yl]-2-hydroxypropanoic acid