Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA011385
PROPERTIES
| NPAID | NPA011385 |
|---|---|
| CLUSTER ID | 46 |
| NODE ID | 11 |
| NAME | 5-hydroxymethylasterric acid |
| FORMULA | C17H16O9 |
| MOLECULAR WEIGHT (Da) | 364.3060 |
| ACCURATE MASS (Da) | 364.0794 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Mycobacterium |
| ORIGIN SPECIES | tuberculosis |
| InChIKey | LCKLPKVOZZBTLE-UHFFFAOYSA-N |
| InChI | InChI=1S/C17H16O9/c1-24-13-6-9(19)5-10(17(23)25-2)15(13)26-12-4-8(7-18)3-11(20)14(12)16(21)22/h3-6,18-20H,7H2,1-2H3,(H,21,22) |
| SMILES | COC1=C(C(=CC(=C1)O)C(=O)OC)OC2=CC(=CC(=C2C(=O)O)O)CO |
ORIGINAL ISOLATION REFERENCE
| CITATION | Zhang, Li-Hua; Feng, Bao-Min; Zhao, Yu-Qing; Sun, Yi; Liu, Bing; Liu, Fang; Chen, Gang; Bai, Jiao; Hua, Hui-Ming; Wang, Hai-Feng; others Polyketide butenolide, diphenyl ether, and benzophenone derivatives from the fungus Aspergillus flavipes PJ03-11 Bioorganic and Medicinal Chemistry Letters 2016 26 (2) 346-350. | ||
|---|---|---|---|
| DOI | 10.1016/j.bmcl.2015.12.009 | PMID | 26706176 |
