This is a beta version released only for testing and focus grouping.
If you are interested in our project, see the Contact Us page for the ways to reach out to us.

Cyanidin-3-o-sambubioside

C26H29O15 581.5 g/mol
H O O O H O O H O + H O O H O O H O H O O H H O H O
Name Cyanidin-3-o-sambubioside
Alternative name Cyanidin 3-sambubioside
Formula C26H29O15
Formula Weight 581.50 g/mol
Molecular Weight 581.50 g/mol
Monoisotopic Mass 581.151000 g/mol
InChI Key ZPPQIOUITZSYAO-UHFFFAOYSA-O
IUPAC 3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1λ⁴-chromen-1-ylium
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
SMILES OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O
Food Berry
Food Source Raspberry
Family Phenolic
Class Flavonoid
Subclass Group Coumarin derivative
Subclass Anthocyanin
Metabolite Anthocyanin metabolite
CASNO 33012-73-6
HMDB HMDB0037976
PubChem 74976920
KEGG C08604
FooDB FDB017165
DrugBank DB01904
ChEBI 28426
BioCyc CPD1F-766
METLIN 5221.0