Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000424835 | Gold | 3 |
| CCMSLIB00000424836 | Gold | 3 |
| CCMSLIB00000577786 | Gold | 3 |
COMPOUND NPA027262
PROPERTIES
| NPAID | NPA027262 |
|---|---|
| CLUSTER ID | 867 |
| NODE ID | 141 |
| NAME | Puwainaphycin D |
| FORMULA | C57H97ClN12O15 |
| MOLECULAR WEIGHT (Da) | 1225.9250 |
| ACCURATE MASS (Da) | 1224.6885 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Anabaena |
| ORIGIN SPECIES | sp. BQ-16-1 |
| InChIKey | QEQPUTKQRURHAG-KTUZZVSUSA-N |
| InChI | InChI=1S/C57H97ClN12O15/c1-12-35(58)23-20-18-16-14-15-17-19-22-32(7)45-48(75)55(82)66-44(31(5)6)52(79)62-36(13-2)50(77)68-46(33(8)71)54(81)65-43(30(3)4)53(80)63-37(25-26-40(59)72)49(76)61-29-42(74)64-47(34(9)85-11)57(84)69(10)39(28-41(60)73)56(83)70-27-21-24-38(70)51(78)67-45/h13,30-35,37-39,43-48,71,75H,12,14-29H2,1-11H3,(H2,59,72)(H2,60,73)(H,61,76)(H,62,79)(H,63,80)(H,64,74)(H,65,81)(H,66,82)(H,67,78)(H,68,77)/b36-13+/t32-,33-,34?,35?,37-,38-,39-,43-,44-,45+,46-,47-,48+/m0/s1 |
| SMILES | C/C=C1/NC(=O)[C@H](C(C)C)NC(=O)[C@H](O)[C@@H]([C@@H](C)CCCCCCCCCC(Cl)CC)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)N(C)C(=O)[C@H](C(C)OC)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@H](C)O)NC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Gregson J; Chen J; Patterson G; Moore R Structures of puwainaphycins A–E Tetrahedron 1992 48 (18) 3727-3734. | ||
|---|---|---|---|
| DOI | 10.1016/s0040-4020(01)92264-1 | PMID | - |
