Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005435951 | Gold | 3 |
| CCMSLIB00005435950 | Gold | 3 |
COMPOUND NPA029871
PROPERTIES
| NPAID | NPA029871 |
|---|---|
| CLUSTER ID | 1027 |
| NODE ID | 885 |
| NAME | 12-epi-lyngbyatoxin A |
| FORMULA | C27H39N3O2 |
| MOLECULAR WEIGHT (Da) | 437.6280 |
| ACCURATE MASS (Da) | 437.3042 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Moorea |
| ORIGIN SPECIES | producens |
| InChIKey | KISDGNGREAJPQR-FESMNKHTSA-N |
| InChI | InChI=1S/C27H39N3O2/c1-8-27(6,13-9-10-17(2)3)21-11-12-22-23-19(15-28-24(21)23)14-20(16-31)29-26(32)25(18(4)5)30(22)7/h8,10-12,15,18,20,25,28,31H,1,9,13-14,16H2,2-7H3,(H,29,32)/t20-,25+,27-/m0/s1 |
| SMILES | C=C[C@@](C)(CCC=C(C)C)C1=C2NC=C3C[C@@H](CO)NC(=O)[C@@H](C(C)C)N(C)C(=C32)C=C1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Jiang, W; Zhou, W; Uchida, H; Kikumori, M; Irie, K; Watanabe, R; Suzuki, T; Sakamoto, B; Kamio, M; Nagai, H A new lyngbyatoxin from the Hawaiian cyanobacterium Moorea producens. Marine Drugs 2014 12 (5) 2748-2759. | ||
|---|---|---|---|
| DOI | 10.3390/md12052748 | PMID | 24824022 |
