Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028861
PROPERTIES
| NPAID | NPA028861 |
|---|---|
| CLUSTER ID | 50 |
| NODE ID | 46 |
| NAME | [Mdhb7]MC-LR |
| FORMULA | C50H76N10O12 |
| MOLECULAR WEIGHT (Da) | 1009.2160 |
| ACCURATE MASS (Da) | 1008.5644 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Nostoc |
| ORIGIN SPECIES | sp. strain 152 |
| InChIKey | ZKRLHZKOFKCNKD-BNILPYKLSA-N |
| InChI | InChI=1S/C50H76N10O12/c1-11-38-47(67)54-32(8)44(64)58-37(24-27(2)3)46(66)59-41(49(70)71)31(7)43(63)56-35(18-15-23-53-50(51)52)45(65)55-34(30(6)42(62)57-36(48(68)69)21-22-40(61)60(38)9)20-19-28(4)25-29(5)39(72-10)26-33-16-13-12-14-17-33/h11-14,16-17,19-20,25,27,29-32,34-37,39,41H,15,18,21-24,26H2,1-10H3,(H,54,67)(H,55,65)(H,56,63)(H,57,62)(H,58,64)(H,59,66)(H,68,69)(H,70,71)(H4,51,52,53)/b20-19+,28-25+,38-11?/t29-,30-,31-,32+,34-,35-,36+,37-,39-,41+/m0/s1 |
| SMILES | CC=C1C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(=O)O)[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)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 | Sivonen K; Carmichael WW; Namikoshi M; Rinehart KL; Dahlem AM; Niemelä SI Isolation and characterization of hepatotoxic microcystin homologs from the filamentous freshwater cyanobacterium Nostoc sp. strain 152. Applied and Environmental Microbiology 1990 56 (9) 2650-2657. | ||
|---|---|---|---|
| DOI | 10.1128/AEM.56.9.2650-2657.1990 | PMID | 2125813 |
