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 O=C(O)C1=N[C@H](C(=O)O)CC(/C=C/N2C3=CC(=O)C(=O)C=C3C[C@H]2C(=O)O)=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllalesBeta vulgaris Ref.
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