myricetin 3-O-β-D-glucoside

Chemical Formula:

C₂₁H₂₀O₁₃

Molecular Weight:

480.381 Daltons

Monoisotopic Mass:

480.0903907293 Daltons

SMILES:

C1(C(O)=C(O)C(O)=CC=1C3(OC4(C=C(O)C=C(O)C(C(=O)C(OC2(C(C(C(O)C(O2)CO)O)O))=3)=4)))

InChI:

1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15-,17+,18-,21+/m1/s1

InChIKey:

FOHXFLPXBUAOJM-LIBJPBHASA-N

Databases

MetaCyc: CPD-14843

PubChem (CID): 5318606

MetaboLights: MTBLC75813

ChEBI: 75813

MetaNetX: MNXM62791