O-sinapoylglucarolactone

Chemical Formula:

C₁₇H₁₈O₁₁

Molecular Weight:

398.323 Daltons

Monoisotopic Mass:

398.08491142089997 Daltons

SMILES:

COC1(C(O)=C(OC)C=C(C=1)C=CC(OC(=O)C2(C(C(C(O)C(O2)=O)O)O))=O)

InChI:

1S/C17H18O11/c1-25-8-5-7(6-9(26-2)11(8)19)3-4-10(18)27-17(24)15-13(21)12(20)14(22)16(23)28-15/h3-6,12-15,19-22H,1-2H3/b4-3+/t12-,13-,14+,15-/m0/s1

InChIKey:

UWTYNMLWDGHWKX-XAAJGCANSA-N

Synonyms

3-(4-hydroxy-3,5-dimethoxy-phenyl)acrylic acid (3,4,5- trihydroxy-6-oxo-tetrahydropyran-2-yl)methyl ester

Databases

MetaCyc: O-SINAPOYLGLUCAROLACTONE

PubChem (CID): 46926117

ChEBI: 60076

KEGG: C03526

Seed: cpd02223

MetaNetX: MNXM93727