input word = C00017698

Metabolite InformationStructural formula
Name DC 89B1
Duocarmycin B1
Formula C26H26BrN3O8
Mw 587.09032773
CAS RN 124325-93-5
C_ID C00017698 ,
InChIKey SUWUAMDOMCWKCL-FDEQGTIQNA-N
InChICode InChI=1S/C26H26BrN3O8/c1-26(25(34)38-5)23(32)18-13-8-12(27)10-30(15(13)9-16(31)20(18)29-26)24(33)14-6-11-7-17(35-2)21(36-3)22(37-4)19(11)28-14/h6-7,9,12,28-29,31H,8,10H2,1-5H3/t12-,26+/m0/s1
SMILES c1(c(cc2c(c1OC)[nH]c(c2)C(=O)N1c2c(C[C@@H](C1)Br)c1c(c(c2)O)N[C@@](C1=O)(C)C(=O)OC)OC)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. DO-89 Ref.
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