Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000001649 | Gold | 1 |
COMPOUND NPA020334
PROPERTIES
| NPAID | NPA020334 |
|---|---|
| CLUSTER ID | 3112 |
| NODE ID | 2375 |
| NAME | Lomaiviticin C |
| FORMULA | C68H82N4O24 |
| MOLECULAR WEIGHT (Da) | 1339.4080 |
| ACCURATE MASS (Da) | 1338.5319 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Salinispora |
| ORIGIN SPECIES | pacifica |
| InChIKey | NZZSDJHUISSTSC-QIXKQXDESA-N |
| InChI | InChI=1S/C68H82N4O24/c1-13-67(95-40-22-36(87-11)57(79)26(5)91-40)52(63(85)43-29(65(67)93-38-20-34(77)55(71(7)8)24(3)89-38)19-28-42(43)60(82)45-31(74)16-15-30(73)44(45)59(28)81)53-64(86)49-48-50(62(84)47-33(76)18-17-32(75)46(47)61(48)83)54(70-69)51(49)66(94-39-21-35(78)56(72(9)10)25(4)90-39)68(53,14-2)96-41-23-37(88-12)58(80)27(6)92-41/h15-19,24-27,34-41,52-53,55-58,65-66,77-85H,13-14,20-23H2,1-12H3/t24-,25-,26+,27+,34-,35-,36+,37+,38+,39+,40+,41+,52-,53-,55-,56-,57+,58+,65+,66+,67-,68-/m0/s1 |
| SMILES | CC[C@@]1([C@H](C(=C2C(=CC3=C2C(=C4C(=O)C=CC(=O)C4=C3O)O)[C@H]1O[C@@H]5C[C@@H]([C@H]([C@@H](O5)C)N(C)C)O)O)[C@H]6C(=O)C7=C([C@H]([C@@]6(CC)O[C@@H]8C[C@H]([C@@H]([C@H](O8)C)O)OC)O[C@@H]9C[C@@H]([C@H]([C@@H](O9)C)N(C)C)O)C(=[N+]=[N-])C1=C7C(=C2C(=O)C=CC(=O)C2=C1O)O)O[C@@H]1C[C@H]([C@@H]([C@H](O1)C)O)OC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Woo, Christina M; Beizer, Nina E; Janso, Jeffrey E; Herzon, Seth B Isolation of lomaiviticins C-E, transformation of lomaiviticin C to lomaiviticin A, complete structure elucidation of lomaiviticin A, and structure-activity analyses Journal of the American Chemical Society 2012 134 (37) 15285-15288. | ||
|---|---|---|---|
| DOI | 10.1021/ja3074984 | PMID | 22963534 |
