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Pelargonidin-glucuronide

C27H31O15+ 595.5 g/mol
O O O H H O O + H O O H O H O H O O H O H O H O
Name Pelargonidin-glucuronide
Alternative name Pelargonidin 3-sambubioside
Formula C27H31O15+
Formula Weight 595.50 g/mol
Molecular Weight 595.50 g/mol
Monoisotopic Mass 595.166000 g/mol
InChI Key HASVPNDDKSXPGU-WGNLCONDSA-O
IUPAC (2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
InChI InChI=1S/C28H32O14/c1-11-21(34)22(35)19(9-29)40-27(11)42-26-24(37)23(36)20(10-30)41-28(26)39-18-8-15-16(33)6-14(32)7-17(15)38-25(18)12-2-4-13(31)5-3-12/h2-8,11,19-24,26-30,34-37H,9-10H2,1H3,(H2-,31,32,33)/p+1/t11-,19-,20-,21-,22-,23-,24+,26-,27+,28-/m1/s1
SMILES C[C@H]1[C@H](O[C@H]2[C@H](OC3=CC4=C(C=C(O)C=C4O)[O+]=C3C3=CC=C(O)C=C3)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
Food Citrus, 
Food Source Orange, 
Family Phenolic
Class Flavonoid
Subclass Group Coumarin derivative
Subclass Anthocyanin
Metabolite Pelargonidin metabolite
CASNO NO CAS
HMDB HMDB0033679
PubChem 23724704
KEGG C16305
FooDB FDB011782
DrugBank DB01904
ChEBI 31967
BioCyc PELARGONIDIN-3-GLUCOSIDE-CMPD
METLIN 3462.0