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CHEBI:206484 - Montagnuphilone E

ChEBI IDCHEBI:206484
ChEBI NameMontagnuphilone E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H26O9
Net Charge0
Average Mass422.430
Monoisotopic Mass422.15768
SMILESCc1cc(O)cc(O)c1C(=O)O[C@H]1CC2=C(CO[C@@](O)(CCCO)C2)C(=O)[C@@]1(C)O
InChIInChI=1S/C21H26O9/c1-11-6-13(23)8-15(24)17(11)19(26)30-16-7-12-9-21(28,4-3-5-22)29-10-14(12)18(25)20(16,2)27/h6,8,16,22-24,27-28H,3-5,7,9-10H2,1-2H3/t16-,20-,21-/m0/s1
InChIKeyNTGQTBBYTOAJAQ-NDXORKPFSA-N
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
Montagnuphilone E (CHEBI:206484) is a azaphilone (CHEBI:50941)
IUPAC Name 
[(3S,6S,7S)-3,7-dihydroxy-3-(3-hydroxypropyl)-7-methyl-8-oxo-1,4,5,6-tetrahydroisochromen-6-yl] 2,4-dihydroxy-6-methylbenzoate
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