Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA000070
PROPERTIES
| NPAID | NPA000070 |
|---|---|
| CLUSTER ID | 64 |
| NODE ID | 60 |
| NAME | Etrogol |
| FORMULA | C13H18O2 |
| MOLECULAR WEIGHT (Da) | 206.2850 |
| ACCURATE MASS (Da) | 206.1307 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Pithomyces |
| ORIGIN SPECIES | sp. |
| InChIKey | IBVFUNAQXWFZQB-UHFFFAOYSA-N |
| InChI | InChI=1S/C13H18O2/c1-11(2)8-10-15-13-5-3-12(4-6-13)7-9-14/h3-6,8,14H,7,9-10H2,1-2H3 |
| SMILES | CC(=CCOC1=CC=C(C=C1)CCO)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Stierle, Andrea A.; Stierle, Donald B.; Goldstein, Eric; Parker, Keith; Bugni, Tim; Baarson, Chad; Gress, Julie; Blake, Danielle A novel 5-HT receptor ligand and related cytotoxic compounds from an acid mine waste extremophile Journal of Natural Products 2003 66 (8) 1097-1100. | ||
|---|---|---|---|
| DOI | 10.1021/np030044w | PMID | 12932132 |
