Met000272: Riboflavin
Metabolite Information
Name
Riboflavin
IUPAC Name
7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione
Molecular Formula
C17H20N4O6
Molecular Weight
376.4
Exact Mass
376.1382844
SMILES
CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O
InChIKey
AUNGANRZJHBGPY-SCRDCRAPSA-N
InChI
InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Organoheterocyclic compounds
Class:
Pteridines and derivatives
Subclass:
Alloxazines and isoalloxazines
Crops containing this metabolite
broad_bean
broccoli
chickpea
potato
broccoli
chickpea
potato
Metabolite Spectrum Accession Label