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CHEBI:190818 - Cis-Ferulic acid [arabinosyl-(1->3)-[glucosyl-(1->6)]-glucosyl] ester

ChEBI IDCHEBI:190818
ChEBI NameCis-Ferulic acid [arabinosyl-(1->3)-[glucosyl-(1->6)]-glucosyl] ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H38O18
Net Charge0
Average Mass650.583
Monoisotopic Mass650.20581
SMILESCOc1cc(/C=C\C(=O)OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(OC3OC(CO)C(O)C3O)C2O)ccc1O
WURCSWURCS=2.0/3,3,2/[axxxxh-1x_1-5_1*OCC=^ZC(CCCCCC$6/9)O(/8)OC/3=O][axxxh-1x_1-4][axxxxh-1x_1-5]/1-2-3/a3-b1_a6-c1
InChIInChI=1S/C27H38O18/c1-39-12-6-10(2-4-11(12)30)3-5-16(31)44-27-23(38)24(45-26-21(36)18(33)14(8-29)42-26)19(34)15(43-27)9-40-25-22(37)20(35)17(32)13(7-28)41-25/h2-6,13-15,17-30,32-38H,7-9H2,1H3/b5-3-
InChIKeyLUBIAXCXQXWFFZ-HYXAFXHYSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
Cis-Ferulic acid [arabinosyl-(1->3)-[glucosyl-(1->6)]-glucosyl] ester (CHEBI:190818) is a oligosaccharide (CHEBI:50699)
IUPAC Name 
[4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Manual XrefsDatabases
HMDB0034682HMDB