input word = C00017597

Metabolite InformationStructural formula
Name BU 3608E
Pradimicin E
Formula C38H40N2O18
Mw 812.22761249
CAS RN 127985-27-7
C_ID C00017597 ,
InChIKey HELMFNXPQUQJFY-UHFFFAOYNA-N
InChICode InChI=1S/C38H40N2O18/c1-10-4-16-23(30(49)20(10)36(53)40-8-19(43)44)22-14(7-15-24(31(22)50)27(46)13-5-12(54-3)6-17(41)21(13)26(15)45)28(47)34(16)57-38-33(52)35(25(39)11(2)56-38)58-37-32(51)29(48)18(42)9-55-37/h4-7,11,18,25,28-29,32-35,37-38,41-42,47-52H,8-9,39H2,1-3H3,(H,40,53)(H,43,44)/t11-,18+,25-,28+,29+,32+,33+,34-,35-,37+,38-/m0/s1
SMILES c1(cc(c2c(c1)C(=O)c1c(C2=O)cc2c(c1O)c1c([C@@H]([C@@H]2O)O[C@H]2[C@@H]([C@H]([C@H]([C@@H](O2)C)N)O[C@@H]2[C@@H]([C@@H]([C@@H](CO2)O)O)O)O)cc(c(c1O)C(=O)NCC(=O)O)C)O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaThermomonosporaceaeActinomadura hibisca P157-2 (ATCC 53557) Ref.
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OrganismActinomadura hibisca P157-2 (ATCC 53557)
ReferenceSawada,J.Antibiotics,43,(1990),771