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CHEBI:3244 - butrin

ChEBI IDCHEBI:3244
ChEBI Namebutrin
Stars
DefinitionA flavanone glycoside that is butin substituted by two β-D-glucopyranosyl residues at positions 7 and 3' respectively.
Last Modified5 April 2018
DownloadsMolfile
FormulaC27H32O15
Net Charge0
Average Mass596.538
Monoisotopic Mass596.17412
SMILESO=C1C[C@@H](c2ccc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc21
InChIInChI=1S/C27H32O15/c28-8-18-20(32)22(34)24(36)26(41-18)38-11-2-3-12-14(31)7-15(39-16(12)6-11)10-1-4-13(30)17(5-10)40-27-25(37)23(35)21(33)19(9-29)42-27/h1-6,15,18-30,32-37H,7-9H2/t15-,18+,19+,20+,21+,22-,23-,24+,25+,26+,27+/m0/s1
InChIKeyQVCQYYYTMIZOGK-VQBAZXIRSA-N
Species of MetaboliteComponentSourceComments
Butea monosperma (ncbitaxon:56060) - PubMed (20164300)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
ChEBI Ontology
Outgoing Relation(s)
butrin (CHEBI:3244) has functional parent butin (CHEBI:27725)
butrin (CHEBI:3244) has role anti-inflammatory agent (CHEBI:67079)
butrin (CHEBI:3244) has role plant metabolite (CHEBI:76924)
butrin (CHEBI:3244) is a 4'-hydroxyflavanones (CHEBI:140331)
butrin (CHEBI:3244) is a flavanone glycoside (CHEBI:72730)
butrin (CHEBI:3244) is a monohydroxyflavanone (CHEBI:38748)
IUPAC Name 
(2S)-2-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl β-D-glucopyranoside
Synonym  Source
Butin 7,3'-di-O-glucosideKEGG COMPOUND
Manual XrefsDatabases
C09616KEGG COMPOUND
C00000946KNApSAcK
LMPK12140065LIPID MAPS
Registry NumbersSources
Reaxys:10320972Reaxys
CAS:492-13-7KEGG COMPOUND
Citations