input word = C00058221

Metabolite InformationStructural formula
Name Tabaxol
Formula C10H18N2O8
Mw 294.10631557
CAS RN 84495-21-6
C_ID C00058221
InChIKey JSPZIZJZUYTXTO-UHFFFAOYSA-N
InChICode InChI=1S/C10H18N2O8/c13-6(8(16)10(19)20)3-12-5(9(17)18)1-2-11-4-7(14)15/h5-6,8,11-13,16H,1-4H2,(H,14,15)(H,17,18)(H,19,20)
SMILES OC(C(O)C(O)CNC(C(O)=O)CCNCC(O)=O)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeHordeum vulgare Ref.
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