methylsalicylate O-β-D-xylopyranosyl-(1->6)-O-β-D-glucopyranoside

methylsalicylate <i>O</i>-β-<i>D</i>-xylopyranosyl-(1->6)-<i>O</i>-β-<i>D</i>-glucopyranoside




Chemical Formula:
C19H26O12
Molecular Weight:
446.407 Daltons
Monoisotopic Mass:
446.14242629980004 Daltons
SMILES:
COC(C1(=CC=CC=C1OC2(C(C(C(O)C(O2)COC3(C(C(O)C(CO3)O)O))O)O)))=O
InChI:
1S/C19H26O12/c1-27-17(26)8-4-2-3-5-10(8)30-19-16(25)14(23)13(22)11(31-19)7-29-18-15(24)12(21)9(20)6-28-18/h2-5,9,11-16,18-25H,6-7H2,1H3/t9-,11-,12+,13-,14+,15-,16-,18+,19-/m1/s1
InChIKey:
VHUNCYDAXJGCLO-AHMNSWSSSA-N

Synonyms
  • methylsalicylate-GX
  • methylsalicylate β-primeveroside

Databases
MetaCyc:  CPD-19215
PubChem (CID):  5315244
MetaNetX:  MNXM531911
ChEBI:  139449