Met009405: fagopyritol B1
Metabolite Information
Name
fagopyritol B1
IUPAC Name
(1S,2R,4R,5S)-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexane-1,2,3,4,5-pentol
Molecular Formula
C12H22O11
Molecular Weight
342.3
Exact Mass
342.1162115
SMILES
C(C1C(C(C(C(O1)OC2C(C(C(C(C2O)O)O)O)O)O)O)O)O
InChIKey
VCWMRQDBPZKXKG-KZMAIVIWSA-N
InChI
InChI=1S/C12H22O11/c13-1-2-3(14)4(15)10(21)12(22-2)23-11-8(19)6(17)5(16)7(18)9(11)20/h2-21H,1H2/t2-,3+,4+,5?,6-,7-,8+,9+,10-,11?,12-/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
banana
grape
muskmelon
potato
grape
muskmelon
potato
Metabolite Spectrum Accession Label