Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA010175
PROPERTIES
| NPAID | NPA010175 |
|---|---|
| CLUSTER ID | 4112 |
| NODE ID | 3053 |
| NAME | Xylacinic acid B |
| FORMULA | C12H18O4 |
| MOLECULAR WEIGHT (Da) | 226.2720 |
| ACCURATE MASS (Da) | 226.1205 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Xylaria |
| ORIGIN SPECIES | cubensis PSU-MA34 |
| InChIKey | MUHHFBJAEXVAPF-NCXKZPMSSA-N |
| InChI | InChI=1S/C12H18O4/c1-4-5-6-7-8-10(11(13)14)9(2)12(15)16-3/h4,8-9H,1,5-7H2,2-3H3,(H,13,14)/b10-8+/t9-/m1/s1 |
| SMILES | C[C@H](/C(=C\CCCC=C)/C(=O)O)C(=O)OC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Klaiklay, Saranyoo; Rukachaisirikul, Vatcharin; Sukpondma, Yaowapa; Phongpaichit, Souwalak; Buatong, Jirayu; Bussaban, Boonsom Metabolites from the mangrove-derived fungus Xylaria cubensis PSU-MA34 Archives of Pharmacal Research 2012 35 (7) 1127-1131. | ||
|---|---|---|---|
| DOI | 10.1007/s12272-012-0701-y | PMID | 22864733 |
