Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA016997
PROPERTIES
NPAID | NPA016997 |
---|---|
CLUSTER ID | 689 |
NODE ID | 234 |
NAME | (1S)-(4-Acetylphenyl)-1,2-ethanediol |
FORMULA | C10H12O3 |
MOLECULAR WEIGHT (Da) | 180.2030 |
ACCURATE MASS (Da) | 180.0786 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Boletus |
ORIGIN SPECIES | edulis |
InChIKey | VFYMSAONOBWBNN-SNVBAGLBSA-N |
InChI | InChI=1S/C10H12O3/c1-7(12)8-2-4-9(5-3-8)10(13)6-11/h2-5,10-11,13H,6H2,1H3/t10-/m1/s1 |
SMILES | CC(=O)C1=CC=C(C=C1)[C@@H](CO)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Yang, Wan-Qiu; Qin, Xiang-Dong; Shao, Hong-Jun; Fang, Li-Zhen; Wang, Fei; Ding, Zhi-Hui; Dong, Ze-Jun; Liu, Ji-Kai New phenyl-ethanediols from the culture broth of Boletus edulis Journal of Basic Microbiology 2007 47 (2) 191-193. | ||
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DOI | 10.1002/jobm.200610260 | PMID | 17440922 |