Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside

Molecular Formula: C₃₃H₄₁O₁₉⁺

InChI: InChI=1/C33H40O19/c1-11-21(37)24(40)27(43)31(47-11)46-10-20-23(39)26(42)29(45)33(52-20)50-18-8-15-16(48-30(18)12-2-4-13(35)5-3-12)6-14(36)7-17(15)49-32-28(44)25(41)22(38)19(9-34)51-32/h2-8,11,19-29,31-34,37-45H,9-10H2,1H3,(H-,35,36)/p+1/t11-,19+,20+,21-,22+,23+,24+,25-,26-,27+,28+,29+,31+,32+,33+/m0/s1/fC33H41O19/h35-36H/q+1

InChIKey: InChIKey=YTMOEUVNNYCFEO-FXSDJBLZDU
SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C([O+]=C4C=C(C=C(C4=C3)OC5C(C(C(C(O5)CO)O)O)O)O)C6=CC=C(C=C6)O)O)O)O)O)O)O

Names:
    C12645
    Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside
    Pelargonidin 3-rutinoside-5-glucopyranoside
    (2S,3R,4S,5S,6R)-2-[7-hydroxy-2-(4-hydroxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-3-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxymethyl]oxane-3,4,5-triol
    202338-79-2

Registries:
    PubChem CID 443919
    PubChem ID 583035