Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00001059094 | Gold | 3 |
| CCMSLIB00005436125 | Gold | 3 |
COMPOUND NPA033329
PROPERTIES
| NPAID | NPA033329 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Dimerumic acid |
| FORMULA | C22H36N4O8 |
| MOLECULAR WEIGHT (Da) | 484.5500 |
| ACCURATE MASS (Da) | 484.2533 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Monascus |
| ORIGIN SPECIES | anka |
| InChIKey | MKDKGLNKTMDNHY-WXUKJITCSA-N |
| InChI | InChI=1S/C22H36N4O8/c1-15(7-11-27)13-19(29)25(33)9-3-5-17-21(31)24-18(22(32)23-17)6-4-10-26(34)20(30)14-16(2)8-12-28/h13-14,17-18,27-28,33-34H,3-12H2,1-2H3,(H,23,32)(H,24,31)/b15-13+,16-14+ |
| SMILES | C/C(=C\C(=O)N(O)CCCC1NC(=O)C(CCCN(O)C(=O)/C=C(\C)CCO)NC1=O)CCO |
ORIGINAL ISOLATION REFERENCE
| CITATION | Aniya, Yoko; Ohtani, Ikuko I.; Higa, Tatsuo; Miyagi, Chika; Gibo, Hisako; Shimabukuro, Megumi; Nakanishi, Hisaharu; Taira, Junsei Dimerumic acid as an antioxidant of the mold, Monascus anka Free Radical Biology and Medicine 2000 28 (6) 999-1004. | ||
|---|---|---|---|
| DOI | 10.1016/S0891-5849(00)00188-X | PMID | - |
