Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA009146
PROPERTIES
| NPAID | NPA009146 |
|---|---|
| CLUSTER ID | 80 |
| NODE ID | 75 |
| NAME | (E)-2-(hydroxymethyl)-3-(4-hydroxypent-1-enyl)phenol |
| FORMULA | C12H16O3 |
| MOLECULAR WEIGHT (Da) | 208.2570 |
| ACCURATE MASS (Da) | 208.1099 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Pestalotiopsis |
| ORIGIN SPECIES | virgatula |
| InChIKey | HCGXNPIBSQYRLJ-OSOUNJMWSA-N |
| InChI | InChI=1S/C12H16O3/c1-9(14)4-2-5-10-6-3-7-12(15)11(10)8-13/h2-3,5-7,9,13-15H,4,8H2,1H3/b5-2+/t9-/m1/s1 |
| SMILES | C[C@H](C/C=C/C1=C(C(=CC=C1)O)CO)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 |
