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CHEBI:213494 - Parmetherine A

ChEBI IDCHEBI:213494
ChEBI NameParmetherine A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H24O15
Net Charge0
Average Mass612.496
Monoisotopic Mass612.11152
SMILESCOC(=O)c1c(C)c(Cc2c(O)c(Oc3c(C=O)c(O)cc(C)c3C(=O)OC)c3c(c2O)C(=O)O[C@@H]3O)c(O)c(C=O)c1O
InChIInChI=1S/C29H24O15/c1-9-5-15(32)13(7-30)24(16(9)26(37)41-3)43-25-19-18(28(39)44-29(19)40)21(34)12(23(25)36)6-11-10(2)17(27(38)42-4)22(35)14(8-31)20(11)33/h5,7-8,29,32-36,40H,6H2,1-4H3/t29-/m0/s1
InChIKeyHCAHLVLGUSJNFH-LJAQVGFWSA-N
Species of MetaboliteComponentSourceComments
Parmotrema dilatatum (ncbitaxon:2559076) - PubMed (32819010)
ChEBI Ontology
Outgoing Relation(s)
Parmetherine A (CHEBI:213494) is a aromatic ether (CHEBI:35618)
IUPAC Name 
methyl 3-ormyl-5-[[7-(2-ormyl-3-hydroxy-6-methoxycarbonyl-5-methylphenoxy)-1,4,6-trihydroxy-3-oxo-1H-2-benzouran-5-yl]methyl]-2,4-dihydroxy-6-methylbenzoate