CHEBI:74811 - cyanidin 3-O-β-D-sambubioside

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cyanidin 3-O-β-D-sambubioside
ChEBI ID CHEBI:74811
ChEBI ASCII Name cyanidin 3-O-beta-D-sambubioside
Definition An anthocyanidin 3-O-β-D-sambubioside having cyanidin as the anthocyanidin component.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anonymous
Supplier Information
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Formula C26H29O15
Net Charge +1
Average Mass 581.49950
Monoisotopic Mass 581.15010
InChI InChI=1S/C26H28O15/c27-7-18-20(34)21(35)24(41-25-22(36)19(33)15(32)8-37-25)26(40-18)39-17-6-11-13(30)4-10(28)5-16(11)38-23(17)9-1-2-12(29)14(31)3-9/h1-6,15,18-22,24-27,32-36H,7-8H2,(H3-,28,29,30,31)/p+1/t15-,18-,19+,20-,21+,22-,24-,25+,26-/m1/s1
InChIKey ZPPQIOUITZSYAO-AOBOYTTNSA-O
SMILES OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing cyanidin 3-O-β-D-sambubioside (CHEBI:74811) has functional parent cyanidin cation (CHEBI:27843)
cyanidin 3-O-β-D-sambubioside (CHEBI:74811) has role metabolite (CHEBI:25212)
cyanidin 3-O-β-D-sambubioside (CHEBI:74811) is a anthocyanidin 3-O-β-D-sambubioside (CHEBI:71506)
IUPAC Name
2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl β-D-xylopyranosyl-(1→2)-β-D-glucopyranoside
Synonyms Sources
Cyanidin 3-O-sambubioside HMDB
Cyanidin 3-sambubioside HMDB
Manual Xrefs Databases
C20490 KEGG COMPOUND
HMDB0037976 HMDB
View more database links
Registry Numbers Types Sources
33012-73-6 CAS Registry Number HMDB
3898420 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
19807153 PubMed citation Europe PMC
20228037 PubMed citation Europe PMC
22900515 PubMed citation Europe PMC
22980784 PubMed citation Europe PMC
23561151 PubMed citation Europe PMC
Last Modified
25 July 2013