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CHEBI:213500 - Parmetherine B

ChEBI IDCHEBI:213500
ChEBI NameParmetherine B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H26O15
Net Charge0
Average Mass626.523
Monoisotopic Mass626.12717
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]3OC)c(O)c(C=O)c1O
InChIInChI=1S/C30H26O15/c1-10-6-16(33)14(8-31)25(17(10)27(38)41-3)44-26-20-19(29(40)45-30(20)43-5)22(35)13(24(26)37)7-12-11(2)18(28(39)42-4)23(36)15(9-32)21(12)34/h6,8-9,30,33-37H,7H2,1-5H3/t30-/m0/s1
InChIKeySGJOCLFRCQZJHJ-PMERELPUSA-N
Species of MetaboliteComponentSourceComments
Parmotrema dilatatum (ncbitaxon:2559076) - PubMed (32819010)
ChEBI Ontology
Outgoing Relation(s)
Parmetherine B (CHEBI:213500) is a aromatic ether (CHEBI:35618)
IUPAC Name 
methyl 3-ormyl-5-[[7-(2-ormyl-3-hydroxy-6-methoxycarbonyl-5-methylphenoxy)-4,6-dihydroxy-1-methoxy-3-oxo-1H-2-benzouran-5-yl]methyl]-2,4-dihydroxy-6-methylbenzoate