input word = C00034702

Metabolite InformationStructural formula
Name Symplostatin 3
(-)-Symplostatin 3
Formula C40H66N4O9
Mw 746.48297974
CAS RN 401625-16-9
C_ID C00034702 ,
InChIKey PFMWLSLCVYOPSJ-LOHLFBKINA-N
InChICode InChI=1S/C40H66N4O9/c1-13-26(6)35(43(10)38(47)33(24(2)3)41-37(46)34(25(4)5)42(8)9)30(51-11)23-32(45)44-21-17-20-29(44)36(52-12)27(7)40(50)53-31(39(48)49)22-28-18-15-14-16-19-28/h14-16,18-19,24-27,29-31,33-36H,13,17,20-23H2,1-12H3,(H,41,46)(H,48,49)/t26-,27+,29-,30+,31-,33-,34-,35-,36+/m0/s1
SMILES C1CC[C@H](N1C(=O)C[C@H]([C@H]([C@H](CC)C)N(C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C)C)OC)[C@@H]([C@H](C(=O)O[C@@H](Cc1ccccc1)C(=O)O)C)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp
Organism
Kingdom Family Species Reference
--Symploca sp. Ref.
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