Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA017754
PROPERTIES
| NPAID | NPA017754 |
|---|---|
| CLUSTER ID | 5875 |
| NODE ID | 4129 |
| NAME | Hapalindolinone B |
| FORMULA | C21H22N2O |
| MOLECULAR WEIGHT (Da) | 318.4200 |
| ACCURATE MASS (Da) | 318.1732 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Fischerella |
| ORIGIN SPECIES | sp. (ATCC 53558) |
| InChIKey | OIBWFYOBXWQXKY-UBFQGWSASA-N |
| InChI | InChI=1S/C21H22N2O/c1-5-19(4)11-10-14(13(2)3)17-20(19,12-22)21(17)15-8-6-7-9-16(15)23-18(21)24/h5-9,14,17H,1-2,10-11H2,3-4H3,(H,23,24)/t14-,17-,19+,20-,21+/m0/s1 |
| SMILES | CC(=C)[C@@H]1CC[C@@]([C@@]2([C@H]1[C@@]23C4=CC=CC=C4NC3=O)C#N)(C)C=C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Schwartz, Robert E.; Hirsch, Charles F.; Springer, James P.; Pettibone, Douglas J.; Zink, Deborah L. Unusual Cyclopropane-Containing Hapalindolinones from a Cultured Cyanobacterium Journal of Organic Chemistry 1987 52 (16) 3704-3706. | ||
|---|---|---|---|
| DOI | 10.1021/jo00392a045 | PMID | - |
