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Pelargonidin-3-o-sambubioside

C26H29O14+ 565.5 g/mol
H O O O H O O H O + O H O H H O H O
Name Pelargonidin-3-o-sambubioside
Alternative name Pelargonidin 3-sambubioside
Formula C26H29O14+
Formula Weight 565.50 g/mol
Molecular Weight 565.50 g/mol
Monoisotopic Mass 565.156000 g/mol
InChI Key NKUOSFBSKVBOJC-UFNWOZQISA-O
IUPAC (2S,3R,5R)-2-[(2S,5S)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
InChI InChI=1S/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25)/p+1/t16-,17-,18+,19-,21-/m1/s1
SMILES OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
Food Berry, 
Food Source Raspberry, 
Family Phenolic
Class Flavonoid
Subclass Group Coumarin derivative
Subclass Anthocyanin
Metabolite Anthocyanin metabolite
CASNO No CAS
HMDB HMDB0240551
PubChem 44256622
KEGG C12137
FooDB FDB012426
DrugBank DB01904
ChEBI 31967
BioCyc PELARGONIDIN-3-GLUCOSIDE-CMPD
METLIN 3462.0