Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00004685437 | Bronze | 7-chloro-4,8-dihydroxy-6-methoxy-3-methyl-3,4-dihydroisochromen-1-one |
| CCMSLIB00004685438 | Bronze | 7-chloro-4,8-dihydroxy-6-methoxy-3-methyl-3,4-dihydroisochromen-1-one |
| CCMSLIB00004692750 | Bronze | 7-chloro-4,8-dihydroxy-6-methoxy-3-methyl-3,4-dihydroisochromen-1-one |
| CCMSLIB00004692751 | Bronze | 7-chloro-4,8-dihydroxy-6-methoxy-3-methyl-3,4-dihydroisochromen-1-one |
| CCMSLIB00004692752 | Bronze | 7-chloro-4,8-dihydroxy-6-methoxy-3-methyl-3,4-dihydroisochromen-1-one |
| CCMSLIB00005466076 | Gold | 3!CCMSLIB00000845044 |
COMPOUND NPA013156
PROPERTIES
| NPAID | NPA013156 |
|---|---|
| CLUSTER ID | 697 |
| NODE ID | 11 |
| NAME | (3R,4S)-4-hydroxy-6-methoxy-7-chloromellein |
| FORMULA | C11H11ClO5 |
| MOLECULAR WEIGHT (Da) | 258.6570 |
| ACCURATE MASS (Da) | 258.0295 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Phoma |
| ORIGIN SPECIES | sp. 135 |
| InChIKey | UPALKCDWIDYZDP-ALFREKQPSA-N |
| InChI | InChI=1S/C11H11ClO5/c1-4-9(13)5-3-6(16-2)8(12)10(14)7(5)11(15)17-4/h3-4,9,13-14H,1-2H3/t4-,9-/m1/s1 |
| SMILES | C[C@@H]1[C@H](C2=CC(=C(C(=C2C(=O)O1)O)Cl)OC)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Elsebai, Mahmoud F.; Ghabbour, Hazem A. Isocoumarin derivatives from the marine-derived fungus Phoma sp. 135 Tetrahedron Letters 2016 57 (3) 354-356. | ||
|---|---|---|---|
| DOI | 10.1016/j.tetlet.2015.12.024 | PMID | - |
