Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA013235
PROPERTIES
| NPAID | NPA013235 |
|---|---|
| CLUSTER ID | 918 |
| NODE ID | 795 |
| NAME | Not named |
| FORMULA | C27H31NO8 |
| MOLECULAR WEIGHT (Da) | 497.5440 |
| ACCURATE MASS (Da) | 497.2050 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Monascus |
| ORIGIN SPECIES | sp. |
| InChIKey | HUIJYERZPWDBIF-IIDJQOACSA-N |
| InChI | InChI=1S/C27H31NO8/c1-4-6-7-8-9-11-21(29)23-19-13-16-12-17(10-5-2)28(20(25(33)34)14-22(30)31)15-18(16)24(32)27(19,3)36-26(23)35/h5,10,12-13,15,20H,4,6-9,11,14H2,1-3H3,(H,30,31)(H,33,34)/b10-5+/t20-,27-/m1/s1 |
| SMILES | CCCCCCCC(=O)C1=C2C=C3C=C(N(C=C3C(=O)[C@@]2(OC1=O)C)[C@H](CC(=O)O)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 | - |
