pelargonidin-3-O-rutinoside-5-O-β-D-glucoside

Chemical Formula:

C₃₃H₄₀O₁₉

Molecular Weight:

740.668 Daltons

Monoisotopic Mass:

741.224204136 Daltons

SMILES:

CC6(C(C(C(C(OCC5(OC(OC1(=CC3(C(=CC(=CC([O+]=C1C2(C=CC(=CC=2)O))=3)[O-])OC4(C(C(C(C(O4)CO)O)O)O))))C(C(C5O)O)O))O6)O)O)O)

InChI:

1S/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)/t11-,19+,20-,21-,22+,23-,24+,25-,26+,27+,28+,29-,31?,32?,33?/m0/s1

InChIKey:

YTMOEUVNNYCFEO-WHZYSMHESA-N

Databases

MetaCyc: CPD-7148

PubChem (CID): 90658862

MetaboLights: MTBLC31969

ChEBI: 31969

KEGG: C12645

Seed: cpd09276

MetaNetX: MNXM5255