input word = C00017760

Metabolite InformationStructural formula
Name Notonesomycin A
Formula C68H111NO30S
Mw 1453.69116195
CAS RN 102525-63-3
C_ID C00017760 ,
InChIKey HVHQPPAFOWCAJP-RCCKNPSSNA-N
InChICode InChI=1S/C68H111NO30S/c1-11-49(93-57-31-51(63(89-10)39(8)91-57)95-67(84)40-22-23-46(69-9)50(26-40)94-56-25-24-47(73)38(7)90-56)34(3)59(80)35(4)60(81)36(5)61-37(6)62-64(97-62)48(74)20-14-18-43(72)28-44(92-55(78)32-53(75)76)29-45-30-52(99-100(86,87)88)65(82)68(85,98-45)66(83)58(79)33(2)16-12-13-17-41(70)27-42(71)19-15-21-54(77)96-61/h15,21-23,26,33-39,41-45,47-49,51-52,56-66,69-74,79-83,85H,11-14,16-20,24-25,27-32H2,1-10H3,(H,75,76)(H,86,87,88)/b21-15+/t33-,34-,35-,36-,37-,38-,39+,41-,42+,43+,44-,45-,47+,48-,49-,51-,52+,56-,57-,58+,59+,60+,61-,62-,63+,64-,65-,66+,68+/m1/s1
SMILES CCC(OC1CC(OC(=O)c2ccc(NC)c(OC3CCC(O)C(C)O3)c2)C(OC)C(C)O1)C(C)C(O)C(C)C(O)C(C)C1OC(=O)/C=C/CC(O)CC(O)CCCCC(C)C(O)C(O)C2(O)OC(CC(OC(=O)CC(=O)O)CC(O)CCCC(O)C3OC3C1C)CC(OS(=O)(=O)O)C2O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces aminophilus subsp. notonesogenes 647-AV1 Ref.
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