input word = C00061271

Metabolite InformationStructural formula
Name 2,2'-Azinobis(3-ethylbenzthiazoline-6-sulfonic acid)
Formula C18H18N4O6S4
Mw 514.01091726
CAS RN 28752-68-3
C_ID C00061271
InChIKey ZTOJFFHGPLIVKC-UHFFFAOYSA-N
InChICode InChI=1S/C18H18N4O6S4/c1-3-21-13-7-5-11(31(23,24)25)9-15(13)29-17(21)19-20-18-22(4-2)14-8-6-12(32(26,27)28)10-16(14)30-18/h5-10H,3-4H2,1-2H3,(H,23,24,25)(H,26,27,28)/b19-17-,20-18+
SMILES CCn1c(=NN=c2sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeApium graveolens Ref.
PlantaeSolanaceaeCapsicum annuum Ref.
zoom in



OrganismApium graveolens
Referencehttps://doi.org/10.1016/j.foodchem.2019.125649