Met009157: 4-(2-Nitroethyl)phenyl primeveroside
Metabolite Information
Name
4-(2-Nitroethyl)phenyl primeveroside
IUPAC Name
2-[4-(2-nitroethyl)phenoxy]-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol
Molecular Formula
C19H27NO12
Molecular Weight
461.4
Exact Mass
461.1533253
SMILES
C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC=C(C=C3)CC[N+](=O)[O-])O)O)O)O)O)O
InChIKey
ZHVLPKFAODFQST-UHFFFAOYSA-N
InChI
InChI=1S/C19H27NO12/c21-11-7-29-18(16(25)13(11)22)30-8-12-14(23)15(24)17(26)19(32-12)31-10-3-1-9(2-4-10)5-6-20(27)28/h1-4,11-19,21-26H,5-8H2
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
peach
Metabolite Spectrum Accession Label