input word = C00017595

Metabolite InformationStructural formula
Name Antibiotic BU 3608C
BU 3608C
Benanomicin B
Pradimicin C
Formula C39H42N2O18
Mw 826.24326256
CAS RN 116249-66-2
C_ID C00017595 ,
InChIKey IHIIRQILYAXIOH-UHFFFAOYNA-N
InChICode InChI=1S/C39H42N2O18/c1-10-5-17-23(30(48)20(10)36(52)41-11(2)37(53)54)22-15(8-16-24(31(22)49)27(45)14-6-13(55-4)7-18(42)21(14)26(16)44)28(46)34(17)58-39-33(51)35(25(40)12(3)57-39)59-38-32(50)29(47)19(43)9-56-38/h5-8,11-12,19,25,28-29,32-35,38-39,42-43,46-51H,9,40H2,1-4H3,(H,41,52)(H,53,54)/t11-,12-,19-,25-,28+,29+,32+,33+,34-,35-,38-,39-/m0/s1
SMILES COc1cc(O)c2c(c1)C(=O)c1c(cc3c(c1O)-c1c(cc(C)c(C(=O)NC(C)C(=O)O)c1O)C(OC1OC(C)C(N)C(OC4OCC(O)C(O)C4O)C1O)C3O)C2=O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaThermomonosporaceaeActinomadura hibisca P157-2 (ATCC 53557) Ref.
--Actinomycete sp. MH193-16F4 Ref.
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OrganismActinomadura hibisca P157-2 (ATCC 53557)
ReferenceTomita,J.Antibiotics,43,(1990),755