input word = C00051831

Metabolite InformationStructural formula
Name Betanidin-quinone
Formula C18H14N2O8
Mw 386.07501544
CAS RN
C_ID C00051831
InChIKey
InChICode InChI=1S/C18H14N2O8/c21-14-6-9-5-13(18(27)28)20(12(9)7-15(14)22)2-1-8-3-10(16(23)24)19-11(4-8)17(25)26/h1-3,6-7,11,13H,4-5H2,(H,23,24)(H,25,26)(H,27,28)/b2-1+/t11-,13-/m0/s1
SMILES C12=CC(=O)C(=O)C=C1C[C@H](N2/C=C/C1=CC(=N[C@@H](C1)C(=O)O)C(=O)O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChenopodiaceaeBeta vulgaris Ref.
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