Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000080344 | Gold | "MLS002207176-01!3,4,5-trimethoxybenzoic&acid" |
| CCMSLIB00010012150 | Gold | 3 |
| CCMSLIB00010012151 | Gold | 3 |
COMPOUND NPA014706
PROPERTIES
| NPAID | NPA014706 |
|---|---|
| CLUSTER ID | 9 |
| NODE ID | 9 |
| NAME | 3,4,5-Trimethoxybenzoic acid |
| FORMULA | C10H12O5 |
| MOLECULAR WEIGHT (Da) | 212.2010 |
| ACCURATE MASS (Da) | 212.0685 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Monascus |
| ORIGIN SPECIES | sp. |
| InChIKey | SJSOFNCYXJUNBT-UHFFFAOYSA-N |
| InChI | InChI=1S/C10H12O5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12) |
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Cheng, Ming-Jen; Wu, Ming-Der; Chen, Ih-Sheng; Yuan, Gwo-Fang Chemical constituents isolated from the fungus Monascus sp Chemistry of Natural Compounds 2011 47 (4) 566-570. | ||
|---|---|---|---|
| DOI | 10.1007/s10600-011-9996-z | PMID | - |
