input word = C00028227

Metabolite InformationStructural formula
Name Dysiherbaine
Formula C12H20N2O7
Mw 304.12705101
CAS RN 185245-55-0
C_ID C00028227 ,
InChIKey YUSZFKPLFIQTGF-NENVTKMUNA-N
InChICode InChI=1S/C12H20N2O7/c1-14-8-6(15)4-20-7-3-12(11(18)19,21-9(7)8)2-5(13)10(16)17/h5-9,14-15H,2-4,13H2,1H3,(H,16,17)(H,18,19)/t5-,6+,7+,8+,9-,12+/m0/s1
SMILES C1[C@H]([C@H]([C@@H]2[C@H](O1)C[C@](O2)(C[C@H](N)C(=O)O)C(=O)O)NC)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
--Dysidea herbacea Ref.
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