isoliquiritigenin 4'-glucoside

Chemical Formula:

C₂₁H₂₂O₉

Molecular Weight:

418.399 Daltons

Monoisotopic Mass:

418.12638230510004 Daltons

SMILES:

C(C1(OC(C(C(C1O)O)O)OC2(C=C(O)C(=CC=2)C(C=CC3(C=CC(=CC=3)O))=O)))O

InChI:

1S/C21H22O9/c22-10-17-18(26)19(27)20(28)21(30-17)29-13-6-7-14(16(25)9-13)15(24)8-3-11-1-4-12(23)5-2-11/h1-9,17-23,25-28H,10H2/b8-3+/t17-,18-,19+,20-,21-/m1/s1

InChIKey:

XQWFHGOIUZFQPJ-LXGDFETPSA-N

Synonyms

(E)-3-(4-hydroxyphenyl)-1-[2-hydroxy-4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one
3-Hydroxy-4-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]phenyl hexopyranoside

Databases

MetaCyc: CPD-7391

PubChem (CID): 5320092

Seed: cpd24778

MetaNetX: MNXM18760