Met005427: Arborescoside

Metabolite Information

Name

Arborescoside

IUPAC Name

methyl (1S)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6-tetrahydrocyclopenta[c]pyran-4-carboxylate

Molecular Formula

C17H24O10

Molecular Weight

388.4

Exact Mass

388.136947

SMILES

COC(=O)C1=COC(C2=C(CCC12)CO)OC3C(C(C(C(O3)CO)O)O)O

InChIKey

VGLLGNISLBPZNL-KPZBCUPXSA-N

InChI

InChI=1S/C17H24O10/c1-24-15(23)9-6-25-16(11-7(4-18)2-3-8(9)11)27-17-14(22)13(21)12(20)10(5-19)26-17/h6,8,10,12-14,16-22H,2-5H2,1H3/t8?,10-,12-,13+,14-,16+,17+/m1/s1