Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000080014 | Bronze | "MLS000876948-01!4,5,7-trihydroxy-9,10-dioxoanthracene-2-carboxylic&acid" |
| CCMSLIB00004751460 | Gold | 3!CCMSLIB00004751375 |
| CCMSLIB00005719725 | Gold | 3 |
| CCMSLIB00005719726 | Gold | 3 |
| CCMSLIB00005719068 | Gold | 3 |
| CCMSLIB00005719724 | Gold | 3 |
COMPOUND NPA020077
PROPERTIES
| NPAID | NPA020077 |
|---|---|
| CLUSTER ID | 46 |
| NODE ID | 11 |
| NAME | Emodic acid |
| FORMULA | C15H8O7 |
| MOLECULAR WEIGHT (Da) | 300.2220 |
| ACCURATE MASS (Da) | 300.0270 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | cyclopium |
| InChIKey | ZJXVNNSMRGTDBI-UHFFFAOYSA-N |
| InChI | InChI=1S/C15H8O7/c16-6-3-8-12(10(18)4-6)14(20)11-7(13(8)19)1-5(15(21)22)2-9(11)17/h1-4,16-18H,(H,21,22) |
| SMILES | C1=C(C=C2C(=C1O)C(=O)C3=C(C=C(C=C3C2=O)O)O)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Anslow, WK; Breen, J; Raistrick, H Studies in the biochemistry of micro-organisms: 64 Emodic Acid and omega-Hydroxyemodin Biochemical Journal 1940 43 (2) 159-169. | ||
|---|---|---|---|
| DOI | 10.1042/bj0340159 | PMID | 16747151 |
