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CHEBI:206646 - Lobariether B

ChEBI IDCHEBI:206646
ChEBI NameLobariether B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O10
Net Charge0
Average Mass434.397
Monoisotopic Mass434.12130
SMILESCOC(=O)c1c(C)cc(OC)c(CO)c1Oc1c(O)c(C)c(O)c2c1[C@@H](OC)OC2=O
InChIInChI=1S/C21H22O10/c1-8-6-11(27-3)10(7-22)17(12(8)19(25)28-4)30-18-14-13(15(23)9(2)16(18)24)20(26)31-21(14)29-5/h6,21-24H,7H2,1-5H3/t21-/m0/s1
InChIKeyKAZAKDLGJUTQKY-NRFANRHFSA-N
Species of MetaboliteComponentSourceComments
Lobaria orientalis (ncbitaxon:209568) - PubMed (28181807)
ChEBI Ontology
Outgoing Relation(s)
Lobariether B (CHEBI:206646) is a aromatic ether (CHEBI:35618)
IUPAC Name 
methyl 2-[[(3S)-5,7-dihydroxy-3-methoxy-6-methyl-1-oxo-3H-2-benzouran-4-yl]oxy]-3-(hydroxymethyl)-4-methoxy-6-methylbenzoate
Manual XrefsDatabases
76786206ChemSpider