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CHEBI:132858 - viscumneoside IV

ChEBI IDCHEBI:132858
ChEBI Nameviscumneoside IV
Stars
DefinitionA viscumneoside that is rhamnacine (3',7-dimethylquercetin) in which the hydroxy group at position 3 has been converted to the corresponding β-D-glucoside and in which the hydroxy group at position 6 of the glucosyl moiety has been acylated by formal condensatio with the pro-R carboxy group of 3-hydroxy-3-methylglutaric acid.
Last Modified12 October 2016
Submitterliuqingping
DownloadsMolfile
FormulaC29H32O16
Net Charge0
Average Mass636.559
Monoisotopic Mass636.16903
SMILESCOc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](COC(=O)C[C@](C)(O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)c(OC)c3)oc2c1
InChIInChI=1S/C29H32O16/c1-29(39,9-19(32)33)10-20(34)42-11-18-22(35)24(37)25(38)28(44-18)45-27-23(36)21-15(31)7-13(40-2)8-17(21)43-26(27)12-4-5-14(30)16(6-12)41-3/h4-8,18,22,24-25,28,30-31,35,37-39H,9-11H2,1-3H3,(H,32,33)/t18-,22-,24+,25-,28+,29-/m1/s1
InChIKeyZPMHWGODKDJELN-BIMZHHFASA-N
Species of MetaboliteComponentSourceComments
Viscum coloratum (ncbitaxon:159976) aerial part (BTO:0001658) PubMed (3256207)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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)
viscumneoside IV (CHEBI:132858) has functional parent 3-hydroxy-3-methylglutaric acid (CHEBI:16831)
viscumneoside IV (CHEBI:132858) has functional parent rhamnacene (CHEBI:133721)
viscumneoside IV (CHEBI:132858) has role plant metabolite (CHEBI:76924)
viscumneoside IV (CHEBI:132858) is a dicarboxylic acid monoester (CHEBI:36244)
viscumneoside IV (CHEBI:132858) is a glycosyloxyflavone (CHEBI:50018)
viscumneoside IV (CHEBI:132858) is a tertiary alcohol (CHEBI:26878)
viscumneoside IV (CHEBI:132858) is a viscumneoside (CHEBI:133718)
viscumneoside IV (CHEBI:132858) is a β-D-glucoside (CHEBI:22798)
Incoming Relation(s)
viscumneoside VII (CHEBI:132861) has functional parent viscumneoside IV (CHEBI:132858)