Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00011427491 | Gold | 3 |
COMPOUND NPA027277
PROPERTIES
| NPAID | NPA027277 |
|---|---|
| CLUSTER ID | 7073 |
| NODE ID | 4870 |
| NAME | Trichophycin C |
| FORMULA | C22H32Cl2O2 |
| MOLECULAR WEIGHT (Da) | 399.4020 |
| ACCURATE MASS (Da) | 398.1779 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Trichodesmium |
| ORIGIN SPECIES | sp. |
| InChIKey | SJNVRGHRZJFALE-COCHCKKMSA-N |
| InChI | InChI=1S/C22H32Cl2O2/c1-17(13-18(2)22(26)9-6-12-23)10-11-21(25)15-20(16-24)14-19-7-4-3-5-8-19/h3-8,12,16-18,21-22,25-26H,9-11,13-15H2,1-2H3/b12-6+,20-16+/t17-,18-,21-,22+/m1/s1 |
| SMILES | C[C@H](CC[C@@H](O)C/C(=C/Cl)CC1=CC=CC=C1)C[C@@H](C)[C@@H](O)C/C=C/Cl |
ORIGINAL ISOLATION REFERENCE
| CITATION | Bertin MJ; Saurí J; Liu Y; Via CW; Roduit AF; Williamson RT Trichophycins B-F, Chlorovinylidene-Containing Polyketides Isolated from a Cyanobacterial Bloom. Journal of Organic Chemistry 2018 83 (21) 13256-13266. | ||
|---|---|---|---|
| DOI | 10.1021/acs.joc.8b02070 | PMID | 30280904 |
