input word = C00028590

Metabolite InformationStructural formula
Name Microviridin B
Formula C84H106N16O24
Mw 1722.75658844
CAS RN 162783-40-6
C_ID C00028590 ,
InChIKey PIMZUOYZYRWJPV-KIVUWARDNA-N
InChICode InChI=1S/C84H106N16O24/c1-6-43(2)69-80(117)91-55-19-12-13-33-85-65(105)31-29-56(75(112)95-62(84(121)122)37-49-23-27-52(104)28-24-49)89-74(111)57-30-32-67(107)123-42-63(96-79(116)64-20-14-34-100(64)83(120)61(94-73(55)110)36-48-21-25-51(103)26-22-48)78(115)93-60(77(114)92-59(76(113)90-57)38-50-40-86-54-18-11-10-17-53(50)54)39-68(108)124-45(4)71(82(119)98-69)99-81(118)70(44(3)101)97-66(106)41-87-72(109)58(88-46(5)102)35-47-15-8-7-9-16-47/h7-11,15-18,21-28,40,43-45,55-64,69-71,86,101,103-104H,6,12-14,19-20,29-39,41-42H2,1-5H3,(H,85,105)(H,87,109)(H,88,102)(H,89,111)(H,90,113)(H,91,117)(H,92,114)(H,93,115)(H,94,110)(H,95,112)(H,96,116)(H,97,106)(H,98,119)(H,99,118)(H,121,122)/t43-,44+,45+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,69-,70-,71-/m0/s1
SMILES CCC(C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(C)=O)[C@@H](C)O)[C@@H](C)OC(=O)C[C@@H]2NC(=O)[C@@H]3COC(=O)CC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC2=O)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)CCC(=O)NCCCC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N3
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
--Microcystis aeruginosa NIES-298 Ref.
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