Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000577794 | Gold | 3 |
COMPOUND NPA010157
PROPERTIES
| NPAID | NPA010157 |
|---|---|
| CLUSTER ID | 2719 |
| NODE ID | 2101 |
| NAME | Symplostatin 3 |
| FORMULA | C40H66N4O9 |
| MOLECULAR WEIGHT (Da) | 746.9870 |
| ACCURATE MASS (Da) | 746.4830 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Symploca |
| ORIGIN SPECIES | sp. VP452 |
| InChIKey | PFMWLSLCVYOPSJ-SGUCCDCUSA-N |
| InChI | 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 | CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)O[C@@H](CC2=CC=CC=C2)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Luesch, Hendrik; Yoshida, Wesley Y.; Moore, Richard E.; Paul, Valerie J.; Mooberry, Susan L.; Corbett, Thomas H. Symplostatin 3, a new dolastatin 10 analogue from the marine cyanobacterium Symploca sp. VP452 Journal of Natural Products 2002 65 (1) 16-20. | ||
|---|---|---|---|
| DOI | 10.1021/np010317s | PMID | 11809057 |
