Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000855981 | Gold | 1!CCMSLIB00000855983 |
COMPOUND NPA000500
PROPERTIES
| NPAID | NPA000500 |
|---|---|
| CLUSTER ID | 388 |
| NODE ID | 350 |
| NAME | Stachyline B |
| FORMULA | C13H16O4 |
| MOLECULAR WEIGHT (Da) | 236.2670 |
| ACCURATE MASS (Da) | 236.1049 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Stachylidium |
| ORIGIN SPECIES | sp. 220 |
| InChIKey | NTVKQXXUTNSBBQ-GFCCVEGCSA-N |
| InChI | InChI=1S/C13H16O4/c1-9(2)12(14)8-17-11-5-3-10(4-6-11)7-13(15)16/h3-6,12,14H,1,7-8H2,2H3,(H,15,16)/t12-/m1/s1 |
| SMILES | CC(=C)[C@@H](COC1=CC=C(C=C1)CC(=O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Almeida, Celso; Part, Natalja; Bouhired, Sarah; Kehraus, Stefan; König, Gabriele M. Stachylines A-D from the Sponge-Derived Fungus Stachylidium sp Journal of Natural Products 2011 74 (1) 21-25. | ||
|---|---|---|---|
| DOI | 10.1021/np1005345 | PMID | 21162532 |
