Met000089: Zeanoside B

Metabolite Information

Name

Zeanoside B

IUPAC Name

2-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-quinoline-4-carboxylic acid

Molecular Formula

C16H17NO9

Molecular Weight

367.31

Exact Mass

367.0903311

SMILES

C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)NC(=O)C=C2C(=O)O

InChIKey

GRKTWUMXBYWXNZ-JCILWVLBSA-N

InChI

InChI=1S/C16H17NO9/c18-5-9-12(20)13(21)14(22)16(26-9)25-8-3-1-2-6-7(15(23)24)4-10(19)17-11(6)8/h1-4,9,12-14,16,18,20-22H,5H2,(H,17,19)(H,23,24)/t9-,12-,13+,14-,16-/m1/s1