Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00010128198 | Gold | 3 |
COMPOUND NPA010103
PROPERTIES
| NPAID | NPA010103 |
|---|---|
| CLUSTER ID | 736 |
| NODE ID | 642 |
| NAME | Merocyclophane A |
| FORMULA | C36H56O4 |
| MOLECULAR WEIGHT (Da) | 552.8400 |
| ACCURATE MASS (Da) | 552.4179 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Nostoc |
| ORIGIN SPECIES | sp. UIC 10062 |
| InChIKey | PHTDAEUHHMVZMQ-VIJSPRBVSA-N |
| InChI | InChI=1S/C36H56O4/c1-5-7-17-27-19-13-9-11-15-26(4)30-23-33(39)36(34(40)24-30)28(18-8-6-2)20-14-10-12-16-25(3)29-21-31(37)35(27)32(38)22-29/h21-28,37-40H,5-20H2,1-4H3/t25-,26-,27+,28+/m1/s1 |
| SMILES | CCCC[C@H]1CCCCC[C@H](C2=CC(=C([C@H](CCCCC[C@H](C3=CC(=C1C(=C3)O)O)C)CCCC)C(=C2)O)O)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 |
