input word = C00027917

Metabolite InformationStructural formula
Name Barbaleucamide B
Formula C17H22Cl6N2O2S
Mw 527.95331495
CAS RN 364321-11-9
C_ID C00027917 ,
InChIKey FAZKBTFQSATIIN-RDOUCSQNNA-N
InChICode InChI=1S/C17H22Cl6N2O2S/c1-10(16(18,19)20)7-12(27-4)9-14(26)25(3)13(15-24-5-6-28-15)8-11(2)17(21,22)23/h5-6,9-11,13H,7-8H2,1-4H3/b12-9+/t10-,11-,13-/m0/s1
SMILES c1csc(n1)[C@@H](N(C(=O)/C=C(/OC)\C[C@H](C)C(Cl)(Cl)Cl)C)C[C@@H](C(Cl)(Cl)Cl)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Asp L-Phe L-His
Organism
Kingdom Family Species Reference
--Dysidea herbacea sp.1524 Ref.
--Dysidea sp. Ref.
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OrganismDysidea sp.
ReferenceHarrigan,J.Nat.Prod.,64,(2001),1133