EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:205895 - Parmoether A

ChEBI IDCHEBI:205895
ChEBI NameParmoether A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H28O11
Net Charge0
Average Mass540.521
Monoisotopic Mass540.16316
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)c1O
InChIInChI=1S/C28H28O11/c1-11-7-19(31)17(10-29)26(20(11)27(35)37-5)39-25-12(2)8-18(30)16(24(25)34)9-15-13(3)21(28(36)38-6)23(33)14(4)22(15)32/h7-8,10,30-34H,9H2,1-6H3
InChIKeyXNXRBYUWICQRDS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Parmotrema (ncbitaxon:172634) - DOI (10.1016/j.tet.2015.06.107)
ChEBI Ontology
Outgoing Relation(s)
Parmoether A (CHEBI:205895) is a diarylmethane (CHEBI:51614)
IUPAC Name 
methyl 5-[[3-(2-ormyl-3-hydroxy-6-methoxycarbonyl-5-methylphenoxy)-2,6-dihydroxy-4-methylphenyl]methyl]-2,4-dihydroxy-3,6-dimethylbenzoate
Manual XrefsDatabases
78435962ChemSpider