input word = C00028851

Metabolite InformationStructural formula
Name Polycarpine
Polycarpine(Polycarpa)
Formula C22H24N6O2S2
Mw 468.14021551
CAS RN 175669-17-7
C_ID C00028851 ,
InChIKey GBYNZTPAERUJGY-UHFFFAOYSA-N
InChICode InChI=1S/C22H24N6O2S2/c1-27-19(17(25-21(27)23)13-5-9-15(29-3)10-6-13)31-32-20-18(26-22(24)28(20)2)14-7-11-16(30-4)12-8-14/h5-12H,1-4H3,(H2,23,25)(H2,24,26)
SMILES COc1ccc(-c2nc(N)n(C)c2SSc2c(-c3ccc(OC)cc3)nc(N)n2C)cc1
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
--Polycarpa aurata Ref.
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