input word = C00046538

Metabolite InformationStructural formula
Name (-)-Herbacic acid
Herbacic acid
Formula C14H19Cl6NO3
Mw 458.94960974
CAS RN 255055-81-3
C_ID C00046538 ,
InChIKey FYSJFLMSVGZPJE-BMAPOTLYNA-N
InChICode InChI=1S/C14H19Cl6NO3/c1-8(13(15,16)17)5-4-6-11(22)21(3)10(12(23)24)7-9(2)14(18,19)20/h4,6,8-10H,5,7H2,1-3H3,(H,23,24)/b6-4+/t8-,9-,10-/m0/s1
SMILES C([C@H](C/C=C/C(=O)N([C@@H](C[C@@H](C(Cl)(Cl)Cl)C)C(=O)O)C)C)(Cl)(Cl)Cl
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp
Organism
Kingdom Family Species Reference
--Dysidea herbacea Ref.
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OrganismDysidea herbacea
ReferenceMacMillan,J.Nat.Prod.,63,(2000),155