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CHEBI:78636 - vitexin 2''-O-β-L-rhamnoside(1−)

ChEBI IDCHEBI:78636
ChEBI Namevitexin 2''-O-β-L-rhamnoside(1−)
Stars
ASCII Namevitexin 2''-O-beta-L-rhamnoside(1-)
DefinitionA flavonoid oxoanion that is the conjugate base of vitexin 2''-O-β-L-rhamnoside obtained by deprotonation of the OH group at position 7 on the chromene. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified12 August 2014
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC27H29O14
Net Charge-1
Average Mass577.515
Monoisotopic Mass577.15628
SMILESC[C@@H]1O[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c([O-])cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C27H30O14/c1-9-19(33)21(35)23(37)27(38-9)41-26-22(36)20(34)16(8-28)40-25(26)18-13(31)6-12(30)17-14(32)7-15(39-24(17)18)10-2-4-11(29)5-3-10/h2-7,9,16,19-23,25-31,33-37H,8H2,1H3/p-1/t9-,16+,19-,20+,21+,22-,23+,25-,26+,27+/m0/s1
InChIKeyLYGPBZVKGHHTIE-JZUNINQASA-M
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.
ChEBI Ontology
Outgoing Relation(s)
vitexin 2''-O-β-L-rhamnoside(1−) (CHEBI:78636) has role plant metabolite (CHEBI:76924)
vitexin 2''-O-β-L-rhamnoside(1−) (CHEBI:78636) is a flavonoid oxoanion (CHEBI:60038)
vitexin 2''-O-β-L-rhamnoside(1−) (CHEBI:78636) is conjugate base of vitexin 2''-O-β-L-rhamnoside (CHEBI:82682)
Incoming Relation(s)
vitexin 2''-O-β-L-rhamnoside (CHEBI:82682) is conjugate acid of vitexin 2''-O-β-L-rhamnoside(1−) (CHEBI:78636)
IUPAC Name 
(1S)-1,5-anhydro-2-O-(6-deoxy-β-L-mannopyranosyl)-1-[5-hydroxy-2-(4-hydroxyphenyl)-7-oxido-4-oxo-4H-chromen-8-yl]-D-glucitol
UniProt Name  Source
vitexin 2''-O-β-L-rhamnosideUniProt
Manual XrefsDatabases
VITEXIN-2-O-B-L-RHAMNOSIDEMetaCyc
Citations