Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028955
PROPERTIES
| NPAID | NPA028955 |
|---|---|
| CLUSTER ID | 50 |
| NODE ID | 46 |
| NAME | MC-HilAba |
| FORMULA | C48H71N7O12 |
| MOLECULAR WEIGHT (Da) | 938.1330 |
| ACCURATE MASS (Da) | 937.5161 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | sp. |
| InChIKey | RHSLRMNOYRZULY-LKKIUZQFSA-N |
| InChI | InChI=1S/C48H71N7O12/c1-12-26(3)24-37-46(62)54-40(48(65)66)30(7)42(58)50-34(13-2)45(61)51-35(20-19-27(4)23-28(5)38(67-11)25-33-17-15-14-16-18-33)29(6)41(57)52-36(47(63)64)21-22-39(56)55(10)32(9)44(60)49-31(8)43(59)53-37/h14-20,23,26,28-31,34-38,40H,9,12-13,21-22,24-25H2,1-8,10-11H3,(H,49,60)(H,50,58)(H,51,61)(H,52,57)(H,53,59)(H,54,62)(H,63,64)(H,65,66)/b20-19+,27-23+/t26-,28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1 |
| SMILES | C=C1C(=O)N[C@H](C)C(=O)N[C@@H](C[C@@H](C)CC)C(=O)N[C@@H](C(=O)O)[C@H](C)C(=O)N[C@@H](CC)C(=O)N[C@@H](/C=C/C(C)=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)[C@H](C)C(=O)N[C@@H](C(=O)O)CCC(=O)N1C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ballot A; Swe T; Mjelde M; Cerasino L; Hostyeva V; Miles CO Cylindrospermopsin- and Deoxycylindrospermopsin-Producing Raphidiopsis raciborskii and Microcystin-Producing Microcystis spp. in Meiktila Lake, Myanmar. Toxins 2020 12 (4) None. | ||
|---|---|---|---|
| DOI | 10.3390/toxins12040232 | PMID | 32272622 |
