Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028767
PROPERTIES
| NPAID | NPA028767 |
|---|---|
| CLUSTER ID | 7432 |
| NODE ID | 5083 |
| NAME | 7-OMe-29-OAc-scytophycin B |
| FORMULA | C47H75NO13 |
| MOLECULAR WEIGHT (Da) | 862.1110 |
| ACCURATE MASS (Da) | 861.5238 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Anabaena |
| ORIGIN SPECIES | sp. HAN21/1 |
| InChIKey | IAGFSHQIORKUKX-UVLRBNAQSA-N |
| InChI | InChI=1S/C47H75NO13/c1-29-16-19-36(54-9)24-37-14-13-15-38(60-37)25-41(56-11)47(27-58-47)42(57-12)26-40(55-10)33(5)46(61-43(52)21-17-29)34(6)44(53)30(2)18-20-39(51)32(4)45(59-35(7)50)31(3)22-23-48(8)28-49/h13-14,16-17,21-23,28,30-34,36-38,40-42,44-46,53H,15,18-20,24-27H2,1-12H3/b21-17+,23-22+,29-16?/t30-,31+,32-,33-,34-,36-,37-,38-,40+,41-,42-,44-,45+,46-,47-/m0/s1 |
| SMILES | CO[C@H]1CC=C(C)/C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC(C)=O)[C@H](C)/C=C/N(C)C=O)[C@@H](C)[C@H](OC)C[C@H](OC)[C@]2(CO2)[C@@H](OC)C[C@@H]2CC=C[C@@H](C1)O2 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Shishido TK; Humisto A; Jokela J; Liu L; Wahlsten M; Tamrakar A; Fewer DP; Permi P; Andreote AP; Fiore MF; Sivonen K Antifungal compounds from cyanobacteria. Marine Drugs 2015 13 (4) 2124-2140. | ||
|---|---|---|---|
| DOI | 10.3390/md13042124 | PMID | 25871291 |
