Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA003633
PROPERTIES
| NPAID | NPA003633 |
|---|---|
| CLUSTER ID | 63 |
| NODE ID | 59 |
| NAME | (E,E)-6-carbonyl-7-hydroxy-2,4-octadienoic acid 6-strobilactone-B ester |
| FORMULA | C23H30O7 |
| MOLECULAR WEIGHT (Da) | 418.4860 |
| ACCURATE MASS (Da) | 418.1992 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | ustus |
| InChIKey | AEKOKNWQDFKVGO-RJMJCDTGSA-N |
| InChI | InChI=1S/C23H30O7/c1-14(24)16(25)8-5-6-9-18(26)30-17-12-15-13-29-20(27)23(15,28)22(4)11-7-10-21(2,3)19(17)22/h5-6,8-9,12,14,17,19,24,28H,7,10-11,13H2,1-4H3/b8-5+,9-6+/t14?,17-,19+,22+,23+/m1/s1 |
| SMILES | CC(C(=O)/C=C/C=C/C(=O)O[C@@H]1C=C2COC(=O)[C@@]2([C@@]3([C@@H]1C(CCC3)(C)C)C)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Zhou, Huinan; Zhu, Tianjiao; Cai, Shengxin; Gu, Qianqun; Li, Dehai Drimane sesquiterpenoids from the mangrove-derived fungus Aspergillus ustus Chemical and Pharmaceutical Bulletin 2011 59 (6) 762-766. | ||
|---|---|---|---|
| DOI | 10.1248/cpb.59.762 | PMID | 21628915 |
