Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA009518
PROPERTIES
| NPAID | NPA009518 |
|---|---|
| CLUSTER ID | 780 |
| NODE ID | 676 |
| NAME | (1S,3S)-1,6,8-trihydroxy-3-(7-hydroxyheptyl)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 | XYOMNNRURKEWJB-GTNSWQLSSA-N |
| InChI | InChI=1S/C17H24O7/c18-7-5-3-1-2-4-6-11-8-10-9-12(19)14(16(21)22)15(20)13(10)17(23)24-11/h9,11,17-20,23H,1-8H2,(H,21,22)/t11-,17-/m0/s1 |
| SMILES | C1[C@@H](O[C@@H](C2=C(C(=C(C=C21)O)C(=O)O)O)O)CCCCCCCO |
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 |
