input word = C00016081

Metabolite InformationStructural formula
Name MJ 347-81F4 B
Formula C60H58N14O18S5
Mw 1422.26570481
CAS RN 214044-53-8
C_ID C00016081 ,
InChIKey RQEPNTVQILZFPS-JRZNSJKLNA-N
InChICode InChI=1S/C60H58N14O18S5/c1-21(47(61)77)63-48(78)30-18-96-56(68-30)41-35(76)11-26-40(70-41)29-16-94-54(65-29)28-15-90-58(83)43-27-14-88-44(45(92-36-12-60(5,85)46(62-6)24(4)91-36)59(84)89-13-25-9-8-10-34(37(25)27)74(43)86)42(57-69-31(19-97-57)49(79)64-28)73-51(81)33-20-95-55(67-33)39(23(3)87-7)72-52(82)38(22(2)75)71-50(80)32-17-93-53(26)66-32/h8-11,16-20,22,24,28,36,38,42,44-46,62,75-76,85-86H,1,12-15H2,2-7H3,(H2,61,77)(H,63,78)(H,64,79)(H,71,80)(H,72,82)(H,73,81)/b39-23+/t22-,24-,28+,36+,38-,42+,44-,45+,46-,60-/m1/s1
SMILES C=C(NC(=O)c1csc(-c2nc3c(cc2O)-c2nc(cs2)C(=O)NC(C(C)O)C(=O)N/C(=C(C)OC)c2nc(cs2)C(=O)NC2c4nc(cs4)C(=O)NC(COC(=O)c4c5c6c(cccc6n4O)COC(=O)C(OC4CC(C)(O)C(NC)C(C)O4)C2OC5)c2nc-3cs2)n1)C(N)=O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
BacteriaPseudonocardiaceaeAmycolatopsis sp. MJ347-81F4 Ref.
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