Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA007625
PROPERTIES
| NPAID | NPA007625 |
|---|---|
| CLUSTER ID | 496 |
| NODE ID | 445 |
| NAME | (R)-3-hydroxy-1-[(R)-4-hydroxy-1,3-dihydroxyisobenzofuran-1-yl]butan-2-one |
| FORMULA | C12H14O4 |
| MOLECULAR WEIGHT (Da) | 222.2400 |
| ACCURATE MASS (Da) | 222.0892 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Pestalotiopsis |
| ORIGIN SPECIES | virgatula |
| InChIKey | BBGDMJGYFNHPDK-JMCQJSRRSA-N |
| InChI | InChI=1S/C12H14O4/c1-7(13)11(15)5-12-8-3-2-4-10(14)9(8)6-16-12/h2-4,7,12-14H,5-6H2,1H3/t7-,12-/m1/s1 |
| SMILES | C[C@H](C(=O)C[C@@H]1C2=C(CO1)C(=CC=C2)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kesting, Julie R.; Olsen, Lars; Staerk, Dan; Tejesvi, Mysore V.; Kini, Kukkundoor R.; Prakash, Harishchandra S.; Jaroszewski, Jerzy W. Production of unusual dispiro metabolites in Pestalotiopsis virgatula endophyte cultures: HPLC-SPE-NMR, electronic circular dichroism, and time-dependent density-functional computation study Journal of Natural Products 2011 74 (10) 2206-2215. | ||
|---|---|---|---|
| DOI | 10.1021/np2005665 | PMID | 21942847 |
