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CHEBI:75386 - sinapoyl-isovitexin 2''-O-arabinoside

ChEBI IDCHEBI:75386
ChEBI Namesinapoyl-isovitexin 2''-O-arabinoside
Stars
ASCII Namesinapoyl-isovitexin 2''-O-arabinoside
DefinitionA disaccharide derivative that is isovitexin attached to a 4-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-α-L-arabinopyranosyl residue at position 2 via a glycosidic linkage.
Last Modified2 September 2013
Submittermwilliams
DownloadsMolfile
FormulaC37H38O18
Net Charge0
Average Mass770.693
Monoisotopic Mass770.20581
SMILESCOc1cc(/C=C/C(=O)O[C@H]2CO[C@@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]3c3c(O)cc4oc(-c5ccc(O)cc5)cc(=O)c4c3O)[C@H](O)[C@H]2O)cc(OC)c1O
InChIInChI=1S/C37H38O18/c1-49-22-9-15(10-23(50-2)29(22)43)3-8-26(42)53-25-14-51-37(34(48)31(25)45)55-36-33(47)30(44)24(13-38)54-35(36)28-19(41)12-21-27(32(28)46)18(40)11-20(52-21)16-4-6-17(39)7-5-16/h3-12,24-25,30-31,33-39,41,43-48H,13-14H2,1-2H3/b8-3+/t24-,25+,30-,31+,33+,34-,35+,36-,37+/m1/s1
InChIKeyAINGNBRUWGABST-OKLBKYPFSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
sinapoyl-isovitexin 2''-O-arabinoside (CHEBI:75386) has functional parent trans-sinapic acid (CHEBI:15714)
sinapoyl-isovitexin 2''-O-arabinoside (CHEBI:75386) has functional parent isovitexin (CHEBI:18330)
sinapoyl-isovitexin 2''-O-arabinoside (CHEBI:75386) has role metabolite (CHEBI:25212)
sinapoyl-isovitexin 2''-O-arabinoside (CHEBI:75386) is a C-glycosyl compound (CHEBI:20857)
sinapoyl-isovitexin 2''-O-arabinoside (CHEBI:75386) is a cinnamate ester (CHEBI:36087)
sinapoyl-isovitexin 2''-O-arabinoside (CHEBI:75386) is a disaccharide derivative (CHEBI:63353)
sinapoyl-isovitexin 2''-O-arabinoside (CHEBI:75386) is a trihydroxyflavone (CHEBI:27116)
IUPAC Name 
(1S)-1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-2-O-{4-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-α-L-arabinopyranosyl}-D-glucitol