input word = C00043459

Metabolite InformationStructural formula
Name Discorhabdin R
(+)-Discorhabdin R
Formula C18H13N3O3S
Mw 351.06776203
CAS RN 308355-78-4
C_ID C00043459 ,
InChIKey UERBAKBEVFJVRL-UQCBAHGCNA-N
InChICode InChI=1S/C18H13N3O3S/c22-7-3-8-18(17-16(7)24-17)4-9(25-8)21-14-11(18)12-10-6(1-2-19-12)5-20-13(10)15(14)23/h3,5,9,16-17,20-21H,1-2,4H2/t9-,16+,17+,18+/m0/s1
SMILES C12=C([C@]34C[C@@H](N1)SC4=CC(=O)[C@@H]1[C@H]3O1)C1=NCCc3c1c(C2=O)[nH]c3
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
--Latrunculia brevis Ref.
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OrganismLatrunculia brevis
ReferenceReyes,J.Nat.Prod.,67,(2004),463