Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA014734
PROPERTIES
| NPAID | NPA014734 |
|---|---|
| CLUSTER ID | 50 |
| NODE ID | 46 |
| NAME | Microcystin-FA |
| FORMULA | C49H65N7O12 |
| MOLECULAR WEIGHT (Da) | 944.0960 |
| ACCURATE MASS (Da) | 943.4691 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | sp. (CAWBG11) |
| InChIKey | CQSVGARFVXWFCH-MGMRBZFQSA-N |
| InChI | InChI=1S/C49H65N7O12/c1-27(24-28(2)39(68-9)26-35-18-14-11-15-19-35)20-21-36-29(3)42(58)53-37(48(64)65)22-23-40(57)56(8)33(7)46(62)51-32(6)45(61)54-38(25-34-16-12-10-13-17-34)47(63)55-41(49(66)67)30(4)43(59)50-31(5)44(60)52-36/h10-21,24,28-32,36-39,41H,7,22-23,25-26H2,1-6,8-9H3,(H,50,59)(H,51,62)(H,52,60)(H,53,58)(H,54,61)(H,55,63)(H,64,65)(H,66,67)/b21-20+,27-24+/t28-,29-,30-,31-,32+,36-,37+,38-,39-,41+/m0/s1 |
| SMILES | C[C@H]1[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC1=O)C(=O)O)C)C)CC2=CC=CC=C2)C(=O)O)C)C)/C=C/C(=C/[C@H](C)[C@H](CC3=CC=CC=C3)OC)/C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Puddick, Jonathan; Prinsep, Michele R.; Wood, Susanna A.; Cary, S. Craig; Hamilton, David P.; Wilkins, Alistair L. Isolation and structure determination of two new hydrophobic microcystins from Microcystis sp. (CAWBG11) Phytochemistry Letters 2013 6 (4) 575-581. | ||
|---|---|---|---|
| DOI | 10.1016/j.phytol.2013.07.011 | PMID | - |
