input word = C00016299

Metabolite InformationStructural formula
Name Clonostachin
Formula C78H134N14O25
Mw 1666.96445594
CAS RN 189506-07-8
C_ID C00016299 ,
InChIKey FXTKDCWUFZIDPM-STFZFFSGNA-N
InChICode InChI=1S/C78H134N14O25/c1-22-41(10)55(64(109)117-57(54(101)38-94)56(102)53(100)37-93)81-66(111)75(18,23-2)86-63(108)52-32-45(98)34-90(52)69(114)74(16,17)87-67(112)76(19,24-3)88-65(110)72(12,13)83-62(107)51-31-46(99)36-92(51)71(116)78(21,26-5)85-59(104)48(28-40(8)9)80-61(106)50-30-44(97)35-91(50)70(115)77(20,25-4)84-58(103)47(27-39(6)7)79-60(105)49-29-43(96)33-89(49)68(113)73(14,15)82-42(11)95/h39-41,43-57,93-94,96-102H,22-38H2,1-21H3,(H,79,105)(H,80,106)(H,81,111)(H,82,95)(H,83,107)(H,84,103)(H,85,104)(H,86,108)(H,87,112)(H,88,110)/t41-,43+,44+,45+,46+,47-,48-,49-,50-,51-,52-,53+,54+,55-,56+,57+,75+,76-,77+,78-/m0/s1
SMILES C([C@@H]([C@@H](C(=O)O[C@@H]([C@@H]([C@@H](CO)O)O)[C@@H](CO)O)NC(=O)[C@](CC)(C)NC(=O)[C@H]1N(C[C@@H](C1)O)C(=O)C(NC(=O)[C@@](NC(=O)C(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@](CC)(C)NC(=O)[C@@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@](NC(=O)[C@@H](NC(=O)[C@H]1N(C[C@@H](C1)O)C(=O)C(C)(C)NC(=O)C)CC(C)C)(C)CC)O)CC(C)C)O)(C)C)(CC)C)(C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeClonostachys sp. F5898 Ref.
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