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 hexoside

C36H43O24 859.214 g/mol
O H O O H O H O O H O H O + H O H O H O
Name Cyanidin hexoside
Alternative name Cyanidin-3,5-di-O-glucoside
Formula C36H43O24
Formula Weight 859.21 g/mol
Molecular Weight 859.21 g/mol
Monoisotopic Mass 859.214000 g/mol
InChI Key ORTBMTXABUAMJS-HAHUOHMJSA-N
IUPAC 2-[3-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromenylium-3,5,7-triol
InChI InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-14-2-1-8(3-12(14)25)20-13(26)6-10-11(24)4-9(23)5-15(10)30-20/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1
SMILES OCC1OC(OC2=C(O)C=C(C=C2)C2=C(O)C=C3C(O)=CC(O)=CC3=[O+]2)C(O)C(O)C1O
Food Berry,  Citrus, 
Food Source Raspberry,  Orange, 
Family Phenolic
Class Flavonoid
Subclass Group Coumarin derivative
Subclass Anthocyanin
Metabolite Coumarin metabolite
CASNO No CAS
HMDB HMDB0037990
PubChem 73981555
KEGG C08604
FooDB FDB017181
DrugBank DB01904
ChEBI 28426
BioCyc CPD1F-766
METLIN 5221.0