Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA017652
PROPERTIES
| NPAID | NPA017652 |
|---|---|
| CLUSTER ID | 780 |
| NODE ID | 676 |
| NAME | (1S,3S)-1,6,8-trihydroxy-3-((R)-6-hydroxyhept-1-yl)isochroman-7-carboxylic acid |
| FORMULA | C17H24O7 |
| MOLECULAR WEIGHT (Da) | 340.3720 |
| ACCURATE MASS (Da) | 340.1522 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | corylophilum DAOM 242293 |
| InChIKey | YULTUTUKMKNZHP-NVTQBHAOSA-N |
| InChI | InChI=1S/C17H24O7/c1-9(18)5-3-2-4-6-11-7-10-8-12(19)14(16(21)22)15(20)13(10)17(23)24-11/h8-9,11,17-20,23H,2-7H2,1H3,(H,21,22)/t9-,11+,17+/m1/s1 |
| SMILES | C[C@H](CCCCC[C@H]1CC2=CC(=C(C(=C2[C@H](O1)O)O)C(=O)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | McMullin, David R.; Nsiama, Tienabe K.; Miller, J. David Isochromans and α-pyrones from Penicillium corylophilum Journal of Natural Products 2014 77 (2) 206-212. | ||
|---|---|---|---|
| DOI | 10.1021/np4005486 | PMID | 24456578 |
