butein 4'-β-D-glucoside

Chemical Formula:

C₂₁H₂₂O₁₀

Molecular Weight:

434.399 Daltons

Monoisotopic Mass:

434.1212969272 Daltons

SMILES:

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

InChI:

1S/C21H22O10/c22-9-17-18(27)19(28)20(29)21(31-17)30-11-3-4-12(15(25)8-11)13(23)5-1-10-2-6-14(24)16(26)7-10/h1-8,17-22,24-29H,9H2/b5-1+/t17-,18-,19+,20-,21-/m1/s1

InChIKey:

QMVODIKHHIRSGI-RWGOFXMDSA-N

Synonyms

coreopsin

Databases

MetaCyc: CPD-7390

PubChem (CID): 12303943

MetaNetX: MNXM16409