input word = C00016290

Metabolite InformationStructural formula
Name Antibiotic 2088A
Pelagiomicin A
Formula C20H21N3O6
Mw 399.14303543
CAS RN 173485-80-8
C_ID C00016290 ,
InChIKey SFUOAUKIPVZJLK-AGDOHHJYNA-N
InChICode InChI=1S/C20H21N3O6/c1-20(2,27)17(21)19(26)29-9-10-7-8-13(28-3)16-14(10)22-12-6-4-5-11(18(24)25)15(12)23-16/h4-8,17,27H,9,21H2,1-3H3,(H,24,25)/t17-/m1/s1
SMILES c12c(c(ccc1COC(=O)[C@H](C(C)(C)O)N)OC)nc1c(n2)cccc1C(=O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
--Pelagiobacter variabilis Ref.
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