Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00006678007 | Gold | 3 |
| CCMSLIB00011427548 | Gold | 3 |
COMPOUND NPA027276
PROPERTIES
| NPAID | NPA027276 |
|---|---|
| CLUSTER ID | 8245 |
| NODE ID | 5600 |
| NAME | Trichophycin B |
| FORMULA | C24H33ClO4 |
| MOLECULAR WEIGHT (Da) | 420.9770 |
| ACCURATE MASS (Da) | 420.2067 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Trichodesmium |
| ORIGIN SPECIES | sp. |
| InChIKey | BANUALHDPUSWKA-QXPVXGLLSA-N |
| InChI | InChI=1S/C24H33ClO4/c1-17(11-18(2)23-14-22(28-3)15-24(27)29-23)9-10-21(26)13-20(16-25)12-19-7-5-4-6-8-19/h4-8,15-18,21,23,26H,9-14H2,1-3H3/b20-16+/t17-,18-,21-,23+/m1/s1 |
| SMILES | COC1=CC(=O)O[C@H]([C@H](C)C[C@H](C)CC[C@@H](O)C/C(=C/Cl)CC2=CC=CC=C2)C1 |
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 |
