Met007400: Staphylionoside C

Metabolite Information

Name

Staphylionoside C

IUPAC Name

(2R,3R,4S,5S,6R)-2-[(E,2S)-4-[(1S,4S,5S,6R)-4,5-dihydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]but-3-en-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Molecular Formula

C19H32O9

Molecular Weight

404.5

Exact Mass

404.2046326

SMILES

CC(C=CC12C(CC(C(C1(O2)C)O)O)(C)C)OC3C(C(C(C(O3)CO)O)O)O

InChIKey

JNLJEAYKDJYBAA-YKTJNLDLSA-N

InChI

InChI=1S/C19H32O9/c1-9(26-16-14(24)13(23)12(22)11(8-20)27-16)5-6-19-17(2,3)7-10(21)15(25)18(19,4)28-19/h5-6,9-16,20-25H,7-8H2,1-4H3/b6-5+/t9-,10-,11+,12+,13-,14+,15-,16+,18+,19-/m0/s1