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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name delphinidin 3-O-β-D-sambubioside
ChEBI ID CHEBI:74810
ChEBI ASCII Name delphinidin 3-O-beta-D-sambubioside
Definition An anthocyanidin 3-O-β-D-sambubioside having delphinidin as the anthocyanidin component.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anonymous
Supplier Information
Download Molfile XML SDF
Formula C26H29O16
Net Charge +1
Average Mass 597.49890
Monoisotopic Mass 597.14501
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
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
Roles Classification
Biological Role(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
View more database links
Registry Numbers Types Sources
53158-73-9 CAS Registry Number HMDB
7327703 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
16018963 PubMed citation Europe PMC
IND44252633 Agricola citation Europe PMC
Last Modified
25 July 2013