input word = C00048841

Metabolite InformationStructural formula
Name Purealidin U
Formula C24H30Br4N3O5
Mw 755.89189769
CAS RN 1060771-37-0
C_ID C00048841 ,
InChIKey MGJUJFIVDCTBLL-SRTWOQSHNA-N
InChICode InChI=1S/C24H30Br4N3O5/c1-31(2,3)8-6-14-10-15(25)20(16(26)11-14)35-9-5-7-29-23(33)18-13-24(36-30-18)12-17(27)21(34-4)19(28)22(24)32/h10-12,22,32H,5-9,13H2,1-4H3,(H,29,33)/t22-,24+/m0/s1
SMILES C1(=C(C(=C[C@]2([C@H]1O)CC(=NO2)C(=O)NCCCOc1c(cc(cc1Br)CC[N](C)(C)C)Br)Br)OC)Br
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Pseudoceratina sp. Ref.
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