Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00011427491 | Gold | 3 |
COMPOUND NPA029366
PROPERTIES
| NPAID | NPA029366 |
|---|---|
| CLUSTER ID | 7073 |
| NODE ID | 4870 |
| NAME | Isotrichophycin C |
| FORMULA | C22H32Cl2O2 |
| MOLECULAR WEIGHT (Da) | 399.4020 |
| ACCURATE MASS (Da) | 398.1779 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Trichodesmium |
| ORIGIN SPECIES | thiebautii |
| InChIKey | SJNVRGHRZJFALE-SHZUKAAQSA-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 | McManus, Kelly M.; Kirk, Riley D.; Via, Christopher W.; Lotti, James S.; Roduit, Alexandre F.; Teta, Roberta; Scarpato, Silvia; Mangoni, Alfonso; Bertin, Matthew J. Isolation of isotrichophycin C and trichophycins G−I from a collection of trichodesmium thiebautii Journal of Natural Products 2020 83 (9) 2664-2671. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.0c00550 | PMID | 32816476 |
