Met003308: Isotachioside
Metabolite Information
Name
Isotachioside
IUPAC Name
(2S,3R,4S,5S,6R)-2-(4-hydroxy-2-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Formula
C13H18O8
Molecular Weight
302.28
Exact Mass
302.1001675
SMILES
COC1=C(C=CC(=C1)O)OC2C(C(C(C(O2)CO)O)O)O
InChIKey
LWEHRPZXRYZMDC-UJPOAAIJSA-N
InChI
InChI=1S/C13H18O8/c1-19-8-4-6(15)2-3-7(8)20-13-12(18)11(17)10(16)9(5-14)21-13/h2-4,9-18H,5H2,1H3/t9-,10-,11+,12-,13-/m1/s1
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Organic oxygen compounds
Class:
Organooxygen compounds
Subclass:
Carbohydrates and carbohydrate conjugates
Crops containing this metabolite
astragalus
rice
s_miltiorrhiza
leonurus
broccoli
ginger
yam
rice
s_miltiorrhiza
leonurus
broccoli
ginger
yam
Metabolite Spectrum Accession Label