Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA001400
PROPERTIES
| NPAID | NPA001400 |
|---|---|
| CLUSTER ID | 918 |
| NODE ID | 795 |
| NAME | Not named |
| FORMULA | C26H31NO6 |
| MOLECULAR WEIGHT (Da) | 453.5350 |
| ACCURATE MASS (Da) | 453.2151 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Monascus |
| ORIGIN SPECIES | sp. |
| InChIKey | QIFKDKYLKWDIPS-BVIOHOBHSA-N |
| InChI | InChI=1S/C26H31NO6/c1-5-7-8-9-10-12-21(28)22-20-14-17-13-18(11-6-2)27(16(3)24(30)31)15-19(17)23(29)26(20,4)33-25(22)32/h6,11,13-16H,5,7-10,12H2,1-4H3,(H,30,31)/b11-6+/t16-,26+/m0/s1 |
| SMILES | CCCCCCCC(=O)C1=C2C=C3C=C(N(C=C3C(=O)[C@@]2(OC1=O)C)[C@@H](C)C(=O)O)/C=C/C |
ORIGINAL ISOLATION REFERENCE
| CITATION | SATO, Kyoko; GODA, Yukihiro; Sasaki, Shiho SAKAMOTO; SHIBATA, Hiroshi; MAITANI, Tamio; YAMADA, Takashi Identification of Major Pigments Containing D-Amino Acid Units in Commercial Monascus Pigments Chemical and Pharmaceutical Bulletin 1997 45 (1) 227-229. | ||
|---|---|---|---|
| DOI | 10.1248/cpb.45.227 | PMID | - |
