Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA019682
PROPERTIES
| NPAID | NPA019682 |
|---|---|
| CLUSTER ID | 567 |
| NODE ID | 506 |
| NAME | 3-hydroxy-N-methylwelwitindolinone C isothiocyanate |
| FORMULA | C22H21ClN2O3S |
| MOLECULAR WEIGHT (Da) | 428.9410 |
| ACCURATE MASS (Da) | 428.0961 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Fischerella |
| ORIGIN SPECIES | sp. |
| InChIKey | VDNAFECSPBXWIH-WOHBTAIZSA-N |
| InChI | InChI=1S/C22H21ClN2O3S/c1-6-20(4)15(23)10-13-17(26)21(20,24-11-29)12-8-7-9-14-16(12)22(28,19(13,2)3)18(27)25(14)5/h6-10,13,28H,1H2,2-5H3/t13-,20+,21+,22-/m0/s1 |
| SMILES | C[C@]1(C(=C[C@H]2C(=O)[C@@]1(C3=C4C(=CC=C3)N(C(=O)[C@@]4(C2(C)C)O)C)N=C=S)Cl)C=C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Jimenez, Jorge I.; Huber, Udo; Moore, Richard E.; Patterson, Gregory M. L. Oxidized welwitindolinones from terrestrial Fischerella spp Journal of Natural Products 1999 62 (4) 569-572. | ||
|---|---|---|---|
| DOI | 10.1021/np980485t | PMID | 10217710 |
