Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027506
PROPERTIES
| NPAID | NPA027506 |
|---|---|
| CLUSTER ID | 50 |
| NODE ID | 46 |
| NAME | [Asp3] MC-FA |
| FORMULA | C48H63N7O12 |
| MOLECULAR WEIGHT (Da) | 930.0690 |
| ACCURATE MASS (Da) | 929.4535 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | sp. CAWBG11 |
| InChIKey | GUVILIPFMOUSKE-NCQXFQPCSA-N |
| InChI | InChI=1S/C48H63N7O12/c1-27(23-28(2)39(67-8)25-34-17-13-10-14-18-34)19-20-35-29(3)42(58)52-36(47(63)64)21-22-41(57)55(7)32(6)45(61)50-31(5)44(60)53-37(24-33-15-11-9-12-16-33)46(62)54-38(48(65)66)26-40(56)49-30(4)43(59)51-35/h9-20,23,28-31,35-39H,6,21-22,24-26H2,1-5,7-8H3,(H,49,56)(H,50,61)(H,51,59)(H,52,58)(H,53,60)(H,54,62)(H,63,64)(H,65,66)/b20-19+,27-23+ |
| SMILES | C=C1C(=O)NC(C)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(C(=O)O)CC(=O)NC(C)C(=O)NC(/C=C/C(C)=C/C(C)C(CC2=CC=CC=C2)OC)C(C)C(=O)NC(C(=O)O)CCC(=O)N1C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Puddick J; Prinsep MR; Wood SA; Kaufononga SA; Cary SC; Hamilton DP High levels of structural diversity observed in microcystins from Microcystis CAWBG11 and characterization of six new microcystin congeners. Marine Drugs 2014 12 (11) 5372-5395. | ||
|---|---|---|---|
| DOI | 10.3390/md12115372 | PMID | 25402827 |
