Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027239
PROPERTIES
| NPAID | NPA027239 |
|---|---|
| CLUSTER ID | 8240 |
| NODE ID | 5596 |
| NAME | Microviridin LH1667 |
| FORMULA | C80H100N14O23 |
| MOLECULAR WEIGHT (Da) | 1625.7550 |
| ACCURATE MASS (Da) | 1624.7086 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | sp. |
| InChIKey | NFNSLVJFCIPOAU-SOBUNMMOSA-N |
| InChI | InChI=1S/C80H100N14O23/c1-41(2)32-56-71(105)86-55-12-7-8-30-81-65(100)28-26-53(84-61(80(114)115)35-46-18-24-50(99)25-19-46)69(103)54-27-29-66(101)116-40-63(92-77(111)64-13-9-31-94(64)79(113)60(90-70(55)104)34-45-16-22-49(98)23-17-45)76(110)88-59(74(108)87-58(73(107)85-54)36-47-38-82-52-11-6-5-10-51(47)52)37-67(102)117-42(3)68(78(112)89-56)93-75(109)62(39-95)91-72(106)57(83-43(4)96)33-44-14-20-48(97)21-15-44/h5-6,10-11,14-25,38,41-42,53-64,68,82,84,95,97-99H,7-9,12-13,26-37,39-40H2,1-4H3,(H,81,100)(H,83,96)(H,85,107)(H,86,105)(H,87,108)(H,88,110)(H,89,112)(H,90,104)(H,91,106)(H,92,111)(H,93,109)(H,114,115)/t42-,53-,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,68+/m1/s1 |
| SMILES | CC(O)=N[C@@H](CC1=CC=C(O)C=C1)C(O)=N[C@@H](CO)C(O)=N[C@@H]1C(O)=N[C@@H](CC(C)C)C(O)=N[C@H]2CCCCN=C(O)CC[C@@H](N[C@@H](CC3=CC=C(O)C=C3)C(=O)O)C(=O)[C@@H]3CCC(=O)OC[C@H](N=C(O)[C@@H]4CCCN4C(=O)[C@H](CC4=CC=C(O)C=C4)N=C2O)C(O)=N[C@@H](CC(=O)O[C@@H]1C)C(O)=N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(O)=N3 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Vegman M; Carmeli S Three aeruginosins and a microviridin from a bloom assembly of Microcystis spp. collected from a fishpond near Kibbutz Lehavot HaBashan, Israel Tetrahedron 2014 70 (38) 6817-6824. | ||
|---|---|---|---|
| DOI | 10.1016/j.tet.2014.07.057 | PMID | - |
