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CHEBI:206656 - Lobariether D

ChEBI IDCHEBI:206656
ChEBI NameLobariether D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H22O11
Net Charge0
Average Mass474.418
Monoisotopic Mass474.11621
SMILESCOC(=O)c1c(C)cc(OC)c(/C=C/C(=O)O)c1Oc1c(O)c(C)c(O)c2c1[C@@H](OC)OC2=O
InChIInChI=1S/C23H22O11/c1-9-8-12(30-3)11(6-7-13(24)25)19(14(9)21(28)31-4)33-20-16-15(17(26)10(2)18(20)27)22(29)34-23(16)32-5/h6-8,23,26-27H,1-5H3,(H,24,25)/b7-6+/t23-/m0/s1
InChIKeyNJXPKCFORWWXRW-YQTDCCHMSA-N
Species of MetaboliteComponentSourceComments
Lobaria orientalis (ncbitaxon:209568) - PubMed (28181807)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Lobariether D (CHEBI:206656) is a cinnamic acids (CHEBI:23252)
IUPAC Name 
(E)-3-[2-[[(3S)-5,7-dihydroxy-3-methoxy-6-methyl-1-oxo-3H-2-benzouran-4-yl]oxy]-6-methoxy-3-methoxycarbonyl-4-methylphenyl]prop-2-enoic acid
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78440672ChemSpider