Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA004022
PROPERTIES
| NPAID | NPA004022 |
|---|---|
| CLUSTER ID | 2141 |
| NODE ID | 1707 |
| NAME | Herbarone |
| FORMULA | C16H20O6 |
| MOLECULAR WEIGHT (Da) | 308.3300 |
| ACCURATE MASS (Da) | 308.1260 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Torula |
| ORIGIN SPECIES | herbarum |
| InChIKey | KKVJAMUGDMBKBM-ISTPORRPSA-N |
| InChI | InChI=1S/C16H20O6/c1-21-9-4-11-14(13(5-9)22-2)16(20)6-8(18)3-10(15(11)19)12(16)7-17/h4-5,8,10,12,17-18,20H,3,6-7H2,1-2H3/t8-,10-,12-,16-/m1/s1 |
| SMILES | COC1=CC(=C2C(=C1)C(=O)[C@@H]3C[C@H](C[C@]2([C@@H]3CO)O)O)OC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Geng, Wan-Li; Wang, Xian-You; Kurtán, Tibor; Mándi, Attila; Tang, Hua; Schulz, Barbara; Sun, Peng; Zhang, Wen Herbarone, a Rearranged Heptaketide Derivative from the Sea Hare Associated Fungus Torula herbarum Journal of Natural Products 2012 75 (10) 1828-1832. | ||
|---|---|---|---|
| DOI | 10.1021/np300642t | PMID | 23043498 |
