CHEBI:131831 - isoscoparin 2''-O-[6-(E)-feruloylglucoside]

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ChEBI Name isoscoparin 2''-O-[6-(E)-feruloylglucoside]
ChEBI ID CHEBI:131831
ChEBI ASCII Name isoscoparin 2''-O-[6-(E)-feruloylglucoside]
Definition A flavone C-glycoside consisting of isoscoparin having a 6-(E)-feruloylglucosyl residue attached at position 2''.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C38H40O19
Net Charge 0
Average Mass 800.714
Monoisotopic Mass 800.21638
InChI InChI=1S/C38H40O19/c1-51-22-9-15(3-6-17(22)40)4-8-27(44)53-14-26-31(46)33(48)35(50)38(56-26)57-37-34(49)30(45)25(13-39)55-36(37)29-20(43)12-24-28(32(29)47)19(42)11-21(54-24)16-5-7-18(41)23(10-16)52-2/h3-12,25-26,30-31,33-41,43,45-50H,13-14H2,1-2H3/b8-4+/t25-,26-,30-,31-,33+,34+,35-,36+,37-,38+/m1/s1
InChIKey DJZOTDSGEBENPL-LWHZWZDQSA-N
SMILES O([C@H]1[C@@H]([C@H]([C@@H]([C@@H](COC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O1)O)O)O)[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3C4=C(C=C5C(=C4O)C(C=C(O5)C6=CC=C(C(=C6)OC)O)=O)O)CO)O)O
Metabolite of Species Details
Oryza sativa (NCBI:txid4530) Found in seed See: PubMed
Oryza sativa (NCBI:txid4530) Found in seed See: MetaboLights Study
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing isoscoparin 2''-O-[6-(E)-feruloylglucoside] (CHEBI:131831) has functional parent isoscoparin (CHEBI:18200)
isoscoparin 2''-O-[6-(E)-feruloylglucoside] (CHEBI:131831) has role plant metabolite (CHEBI:76924)
isoscoparin 2''-O-[6-(E)-feruloylglucoside] (CHEBI:131831) is a flavone C-glycoside (CHEBI:83280)
isoscoparin 2''-O-[6-(E)-feruloylglucoside] (CHEBI:131831) is a monomethoxyflavone (CHEBI:25401)
isoscoparin 2''-O-[6-(E)-feruloylglucoside] (CHEBI:131831) is a polyphenol (CHEBI:26195)
isoscoparin 2''-O-[6-(E)-feruloylglucoside] (CHEBI:131831) is a trihydroxyflavone (CHEBI:27116)
IUPAC Name
(1S)-1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-1-benzopyran-6-yl]-2-O-{6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-β-D-glucopyranosyl}-D-glucitol
Synonyms Sources
2''-(6-feruloylglucosyl)isoscoparin ChEBI
2''-O-(6-feruloylglucosyl)isoscoparin ChEBI
2''-O-[6-(E)-feruloylglucosyl]isoscoparin ChEBI
isoscoparin 2''-[6-(E)-feruloylglucoside] ChEBI
Manual Xrefs Databases
C00006336 KNApSAcK
LMPK12110753 LIPID MAPS
View more database links
Registry Numbers Types Sources
8966682 Reaxys Registry Number Reaxys
97605-26-0 CAS Registry Number KNApSAcK
Last Modified
21 November 2016