Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA015954
PROPERTIES
| NPAID | NPA015954 |
|---|---|
| CLUSTER ID | 1617 |
| NODE ID | 1326 |
| NAME | (3S,4S)-3-hydroxytetradec-13-ene-1,3,4-tricarboxylic acid |
| FORMULA | C17H28O7 |
| MOLECULAR WEIGHT (Da) | 344.4040 |
| ACCURATE MASS (Da) | 344.1835 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | solitum |
| InChIKey | KAEUHBWCUQSEQR-DYVFJYSZSA-N |
| InChI | InChI=1S/C17H28O7/c1-2-3-4-5-6-7-8-9-10-13(15(20)21)17(24,16(22)23)12-11-14(18)19/h2,13,24H,1,3-12H2,(H,18,19)(H,20,21)(H,22,23)/t13-,17+/m1/s1 |
| SMILES | C=CCCCCCCCC[C@H](C(=O)O)[C@@](O)(CCC(=O)O)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Stierle, Donald B.; Stierle, Andrea A.; Girtsman, Teri; McIntyre, Kyle; Nichols, Jesse Caspase-1 and -3 inhibiting drimane sesquiterpenoids from the extremophilic fungus Penicillium solitum Journal of Natural Products 2012 75 (2) 262-266. | ||
|---|---|---|---|
| DOI | 10.1021/np200528n | PMID | 22276851 |
