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CHEBI:218179 - Parmoether B

ChEBI IDCHEBI:218179
ChEBI NameParmoether B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H26O12
Net Charge0
Average Mass554.504
Monoisotopic Mass554.14243
SMILESCOC(=O)c1c(C)c(Cc2c(O)cc(C)c(Oc3c(C=O)c(O)cc(C)c3C(=O)OC)c2O)c(O)c(C=O)c1O
InChIInChI=1S/C28H26O12/c1-11-6-19(32)16(9-29)26(20(11)27(36)38-4)40-25-12(2)7-18(31)15(24(25)35)8-14-13(3)21(28(37)39-5)23(34)17(10-30)22(14)33/h6-7,9-10,31-35H,8H2,1-5H3
InChIKeyVCWYZYQDIITMFM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Parmotrema (ncbitaxon:172634) - DOI (10.1016/j.tet.2015.06.107)
ChEBI Ontology
Outgoing Relation(s)
Parmoether B (CHEBI:218179) is a diarylmethane (CHEBI:51614)
IUPAC Name 
methyl 3-ormyl-5-[[3-(2-ormyl-3-hydroxy-6-methoxycarbonyl-5-methylphenoxy)-2,6-dihydroxy-4-methylphenyl]methyl]-2,4-dihydroxy-6-methylbenzoate
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78435999ChemSpider