CHEBI:74809 - pelargonidin 3-O-β-D-sambubioside

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ChEBI Name pelargonidin 3-O-β-D-sambubioside
ChEBI ID CHEBI:74809
ChEBI ASCII Name pelargonidin 3-O-beta-D-sambubioside
Definition An anthocyanidin 3-O-β-D-sambubioside having pelargonidin as the anthocyanidin component.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anonymous
Supplier Information
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Formula C26H29O14
Net Charge +1
Average Mass 565.50010
Monoisotopic Mass 565.15518
InChI InChI=1S/C26H28O14/c27-8-18-20(33)21(34)24(40-25-22(35)19(32)15(31)9-36-25)26(39-18)38-17-7-13-14(30)5-12(29)6-16(13)37-23(17)10-1-3-11(28)4-2-10/h1-7,15,18-22,24-27,31-35H,8-9H2,(H2-,28,29,30)/p+1/t15-,18-,19+,20-,21+,22-,24-,25+,26-/m1/s1
InChIKey NKUOSFBSKVBOJC-AOBOYTTNSA-O
SMILES OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[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 pelargonidin 3-O-β-D-sambubioside (CHEBI:74809) has functional parent pelargonidin (CHEBI:25863)
pelargonidin 3-O-β-D-sambubioside (CHEBI:74809) has role metabolite (CHEBI:25212)
pelargonidin 3-O-β-D-sambubioside (CHEBI:74809) is a anthocyanidin 3-O-β-D-sambubioside (CHEBI:71506)
IUPAC Name
5,7-dihydroxy-2-(4-hydroxyphenyl)chromenium-3-yl β-D-xylopyranosyl-(1→2)-β-D-glucopyranoside
Synonym Source
Pelargonidin 3-sambubioside ChEBI
Manual Xrefs Databases
C20489 KEGG COMPOUND
LMPK12010017 LIPID MAPS
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Registry Number Type Source
21563793 Reaxys Registry Number Reaxys
Last Modified
25 July 2013