Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA001323
PROPERTIES
| NPAID | NPA001323 |
|---|---|
| CLUSTER ID | 780 |
| NODE ID | 676 |
| NAME | (S)-6,8-dihydroxy-3-(7-hydroxyhept-1-yl)isochroman-7-carboxylic acid |
| FORMULA | C17H24O6 |
| MOLECULAR WEIGHT (Da) | 324.3730 |
| ACCURATE MASS (Da) | 324.1573 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | corylophilum DAOM 242293 |
| InChIKey | LAKJUFWBIQLBFF-LBPRGKRZSA-N |
| InChI | InChI=1S/C17H24O6/c18-7-5-3-1-2-4-6-12-8-11-9-14(19)15(17(21)22)16(20)13(11)10-23-12/h9,12,18-20H,1-8,10H2,(H,21,22)/t12-/m0/s1 |
| SMILES | C1[C@@H](OCC2=C(C(=C(C=C21)O)C(=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 |
