Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA010670
PROPERTIES
| NPAID | NPA010670 |
|---|---|
| CLUSTER ID | 1775 |
| NODE ID | 1440 |
| NAME | Helminthosporal acid |
| FORMULA | C15H22O3 |
| MOLECULAR WEIGHT (Da) | 250.3380 |
| ACCURATE MASS (Da) | 250.1569 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Bipolaris |
| ORIGIN SPECIES | sp. |
| InChIKey | HXNYRJOYXPCWDK-OWXLFPTMSA-N |
| InChI | InChI=1S/C15H22O3/c1-8(2)10-5-6-15(4)9(3)11(7-16)12(10)13(15)14(17)18/h7-8,10,12-13H,5-6H2,1-4H3,(H,17,18)/t10-,12-,13?,15+/m1/s1 |
| SMILES | CC1=C([C@H]2[C@H](CC[C@@]1(C2C(=O)O)C)C(C)C)C=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Pena-Rodriguez, L M; Armingeon, N A; Chilton, W S Toxins from weed pathogens, I. Phytotoxins from a bipolaris pathogen of johnson grass. Journal of Natural Products 1988 51 (5) 821-828. | ||
|---|---|---|---|
| DOI | 10.1021/np50059a001 | PMID | 21401200 |
