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CHEBI:227553 - methyl homosekikate

Default Structure
ChEBI IDCHEBI:227553
ChEBI Namemethyl homosekikate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H32O8
Net Charge0
Average Mass460.523
Monoisotopic Mass460.20972
SMILESCCCCCc1cc(OC)c(OC(=O)c2c(O)cc(OC)cc2CCC)c(O)c1C(=O)OC
InChIInChI=1S/C25H32O8/c1-6-8-9-11-16-13-19(31-4)23(22(27)21(16)24(28)32-5)33-25(29)20-15(10-7-2)12-17(30-3)14-18(20)26/h12-14,26-27H,6-11H2,1-5H3
InChIKeyBQVVGYRQMMYUCI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ramalina (ncbitaxon:56479) - DOI (10.1016/j.phytol.2014.12.003)
ChEBI Ontology
Outgoing Relation(s)
methyl homosekikate (CHEBI:227553) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
methyl 2-hydroxy-3-(2-hydroxy-4-methoxy-6-propylbenzoyl)oxy-4-methoxy-6-pentylbenzoate
Manual XrefsDatabases
78436077ChemSpider