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CHEBI:197152 - Methyl 3,4,5-trimethoxycinnamate [arabinosyl-(1->3)-[glucosyl-(1->6)]-glucosyl] ester

ChEBI IDCHEBI:197152
ChEBI NameMethyl 3,4,5-trimethoxycinnamate [arabinosyl-(1->3)-[glucosyl-(1->6)]-glucosyl] ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H42O19
Net Charge0
Average Mass694.636
Monoisotopic Mass694.23203
SMILESCOc1cc(/C=C/C(=O)OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(OC3OC(CO)C(O)C3O)C2O)cc(OC)c1OC
WURCSWURCS=2.0/3,3,2/[axxxxh-1x_1-5_1*OCC=^EC(CCCCCC$6/10)OC(/9)OC(/8)OC/3=O][axxxh-1x_1-4][axxxxh-1x_1-5]/1-2-3/a3-b1_a6-c1
InChIInChI=1S/C29H42O19/c1-40-12-6-11(7-13(41-2)25(12)42-3)4-5-17(32)47-29-24(39)26(48-28-22(37)19(34)15(9-31)45-28)20(35)16(46-29)10-43-27-23(38)21(36)18(33)14(8-30)44-27/h4-7,14-16,18-24,26-31,33-39H,8-10H2,1-3H3/b5-4+
InChIKeyPQBHLKVDBLIZKB-SNAWJCMRSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
Methyl 3,4,5-trimethoxycinnamate [arabinosyl-(1->3)-[glucosyl-(1->6)]-glucosyl] ester (CHEBI:197152) 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] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
Manual XrefsDatabases
HMDB0034756HMDB