delphinidin 3-O-beta-D-sambubioside (CHEBI:74810)

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

ChEBI ID	CHEBI:74810
ChEBI Name	delphinidin 3-O-β-D-sambubioside
Stars
ASCII Name	delphinidin 3-O-beta-D-sambubioside
Definition	An anthocyanidin 3-O-β-D-sambubioside having delphinidin as the anthocyanidin component.
Last Modified	25 July 2013
Downloads	Molfile

Formula	C26H29O16
Net Charge	+1
Average Mass	597.502
Monoisotopic Mass	597.14501
SMILES	OC[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
InChI	InChI=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
InChIKey	TWYYVOVDSNRIJM-AFAGGVQESA-O

Roles Classification

Biological Roles:

metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.

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-sambubioside	LIPID MAPS

Manual Xrefs	Databases
C20491	KEGG COMPOUND
HMDB0038003	HMDB
LMPK12010279	LIPID MAPS

Registry Numbers	Sources
Reaxys:7327703	Reaxys
CAS:53158-73-9	HMDB

Citations