Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027503
PROPERTIES
| NPAID | NPA027503 |
|---|---|
| CLUSTER ID | 50 |
| NODE ID | 46 |
| NAME | MC-FAba |
| FORMULA | C50H67N7O12 |
| MOLECULAR WEIGHT (Da) | 958.1230 |
| ACCURATE MASS (Da) | 957.4848 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | sp. CAWBG11 |
| InChIKey | ODVYEKWJJWPDCB-PMAKFENQSA-N |
| InChI | InChI=1S/C50H67N7O12/c1-10-36-47(63)53-37(22-21-28(2)25-29(3)40(69-9)27-35-19-15-12-16-20-35)30(4)43(59)54-38(49(65)66)23-24-41(58)57(8)33(7)46(62)51-32(6)45(61)55-39(26-34-17-13-11-14-18-34)48(64)56-42(50(67)68)31(5)44(60)52-36/h11-22,25,29-32,36-40,42H,7,10,23-24,26-27H2,1-6,8-9H3,(H,51,62)(H,52,60)(H,53,63)(H,54,59)(H,55,61)(H,56,64)(H,65,66)(H,67,68)/b22-21+,28-25+/t29-,30-,31-,32+,36-,37-,38+,39-,40-,42+/m0/s1 |
| SMILES | C=C1C(=O)N[C@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)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 | 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 |
