Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00010128606 | Gold | 3 |
COMPOUND NPA001067
PROPERTIES
| NPAID | NPA001067 |
|---|---|
| CLUSTER ID | 736 |
| NODE ID | 642 |
| NAME | Merocyclophane B |
| FORMULA | C36H54O5 |
| MOLECULAR WEIGHT (Da) | 566.8230 |
| ACCURATE MASS (Da) | 566.3971 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Nostoc |
| ORIGIN SPECIES | sp. UIC 10062 |
| InChIKey | CRPYYHQISGFROO-XDZXDJIYSA-N |
| InChI | InChI=1S/C36H54O5/c1-5-7-17-26-19-13-10-12-16-25(4)29-23-32(39)34(36(41)35(29)40)27(18-8-6-2)20-14-9-11-15-24(3)28-21-30(37)33(26)31(38)22-28/h21-27,37-38,41H,5-20H2,1-4H3/t24-,25-,26+,27+/m1/s1 |
| SMILES | CCCC[C@H]1CCCCC[C@H](C2=CC(=O)C(=C(C2=O)O)[C@H](CCCCC[C@H](C3=CC(=C1C(=C3)O)O)C)CCCC)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kang, Hahk-Soo; Santarsiero, Bernard D.; Kim, Hyunjung; Krunic, Aleksej; Shen, Qi; Swanson, Steven M.; Chai, Heebyung; Kinghorn, A. Douglas; Orjala, Jimmy Merocyclophanes A and B, antiproliferative cyclophanes from the cultured terrestrial Cyanobacterium Nostoc sp Phytochemistry 2012 79 109-115. | ||
|---|---|---|---|
| DOI | 10.1016/j.phytochem.2012.03.005 | PMID | 22571940 |
