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CHEBI:74810 - delphinidin 3-O-β-D-sambubioside

ChEBI IDCHEBI:74810
ChEBI Namedelphinidin 3-O-β-D-sambubioside
Stars
ASCII Namedelphinidin 3-O-beta-D-sambubioside
DefinitionAn anthocyanidin 3-O-β-D-sambubioside having delphinidin as the anthocyanidin component.
Last Modified25 July 2013
DownloadsMolfile
FormulaC26H29O16
Net Charge+1
Average Mass597.502
Monoisotopic Mass597.14501
SMILESOC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C26H28O16/c27-6-17-20(35)21(36)24(42-25-22(37)19(34)14(32)7-38-25)26(41-17)40-16-5-10-11(29)3-9(28)4-15(10)39-23(16)8-1-12(30)18(33)13(31)2-8/h1-5,14,17,19-22,24-27,32,34-37H,6-7H2,(H4-,28,29,30,31,33)/p+1/t14-,17-,19+,20-,21+,22-,24-,25+,26-/m1/s1
InChIKeyTWYYVOVDSNRIJM-AFAGGVQESA-O
Roles Classification
Biological Roles:
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
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)
delphinidin 3-O-β-D-sambubioside (CHEBI:74810) has functional parent delphinidin (CHEBI:28436)
delphinidin 3-O-β-D-sambubioside (CHEBI:74810) has role apoptosis inducer (CHEBI:68495)
delphinidin 3-O-β-D-sambubioside (CHEBI:74810) has role metabolite (CHEBI:25212)
delphinidin 3-O-β-D-sambubioside (CHEBI:74810) is a anthocyanidin 3-O-β-D-sambubioside (CHEBI:71506)
IUPAC Name 
5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium-3-yl β-D-xylopyranosyl-(1→2)-β-D-glucopyranoside
Synonym  Source
Delphinidin 3-sambubiosideLIPID MAPS
Manual XrefsDatabases
C20491KEGG COMPOUND
LMPK12010279LIPID MAPS
HMDB0038003HMDB
Registry NumbersSources
Reaxys:7327703Reaxys
CAS:53158-73-9HMDB
Citations