input word = C00015058

Metabolite InformationStructural formula
Name Neoatroviridin D
Formula C83H146N20O21
Mw 1759.09714187
CAS RN 460060-40-4
C_ID C00015058 ,
InChIKey QAWVXRCHBIITPK-NURNOEFUNA-N
InChICode InChI=1S/C83H146N20O21/c1-27-81(24,100-66(115)54(39-46(8)9)90-61(110)48(12)88-59(108)41-86-68(117)76(14,15)95-49(13)105)72(121)93-52(33-35-58(85)107)63(112)99-82(25,28-2)73(122)94-55(40-47(10)11)65(114)97-77(16,17)69(118)87-42-60(109)96-83(26,29-3)74(123)102-80(22,23)75(124)103-36-30-31-56(103)67(116)91-53(38-45(6)7)64(113)98-79(20,21)71(120)101-78(18,19)70(119)92-51(32-34-57(84)106)62(111)89-50(43-104)37-44(4)5/h44-48,50-56,104H,27-43H2,1-26H3,(H2,84,106)(H2,85,107)(H,86,117)(H,87,118)(H,88,108)(H,89,111)(H,90,110)(H,91,116)(H,92,119)(H,93,121)(H,94,122)(H,95,105)(H,96,109)(H,97,114)(H,98,113)(H,99,112)(H,100,115)(H,101,120)(H,102,123)/t48-,50-,51-,52-,53-,54-,55-,56-,81+,82+,83+/m0/s1
SMILES C(C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@](C)(C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@](C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NCC(=O)N[C@](C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H](CO)CC(C)C)(C)CC)(C)CC)CC)NC(=O)C(C)(C)NC(=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
FungiHypocreaceaeTrichoderma atroviride F80317 Ref.
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