Met003877: Deacetylasperuloside
Metabolite Information
Name
Deacetylasperuloside
IUPAC Name
(4S,7S,8S,11S)-6-(hydroxymethyl)-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[5.3.1.04,11]undeca-1(10),5-dien-2-one
Molecular Formula
C16H20O10
Molecular Weight
372.32
Exact Mass
372.1056468
SMILES
C1=C(C2C3C1OC(=O)C3=COC2OC4C(C(C(C(O4)CO)O)O)O)CO
InChIKey
BDLDISNCZVBVKG-YYFGDFGFSA-N
InChI
InChI=1S/C16H20O10/c17-2-5-1-7-10-6(14(22)24-7)4-23-15(9(5)10)26-16-13(21)12(20)11(19)8(3-18)25-16/h1,4,7-13,15-21H,2-3H2/t7-,8+,9+,10-,11+,12-,13+,15-,16-/m0/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
adzuki_bean
broccoli
carrot
chestnut
citrus
fig
lentil
loquat
okra
pea
pineapple
taro
broccoli
carrot
chestnut
citrus
fig
lentil
loquat
okra
pea
pineapple
taro
Metabolite Spectrum Accession Label