salmochelin SX

Chemical Formula:

C₁₆H₂₀NO₁₁

Molecular Weight:

402.334 Daltons

Monoisotopic Mass:

403.11146052239997 Daltons

SMILES:

C(O)C2(OC(C1(C=C(O)C(O)=C(C=1)C(=O)NC(CO)C([O-])=O))C(O)C(O)C(O)2)

InChI:

1S/C16H21NO11/c18-3-7(16(26)27)17-15(25)6-1-5(2-8(20)10(6)21)14-13(24)12(23)11(22)9(4-19)28-14/h1-2,7,9,11-14,18-24H,3-4H2,(H,17,25)(H,26,27)/p-1/t7-,9+,11+,12-,13+,14-/m0/s1

InChIKey:

DZGUVNHTZMXFAA-SKLLSKDGSA-M

Synonyms

parcifarinic acid
parcifarinate
N-(C-5-deoxy-β-D-glucosyl-2,3-dihydroxybenzoyl)-L-serine

Databases

MetaCyc: CPD-21579

ChEBI: 143778

PubChem (CID): 135397946