Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA005053
PROPERTIES
| NPAID | NPA005053 |
|---|---|
| CLUSTER ID | 2533 |
| NODE ID | 1981 |
| NAME | Pestalofone E |
| FORMULA | C33H36O12 |
| MOLECULAR WEIGHT (Da) | 624.6390 |
| ACCURATE MASS (Da) | 624.2207 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Pestalotiopsis |
| ORIGIN SPECIES | fici |
| InChIKey | FYULFHVQQBWSCF-JRLFQTPXSA-N |
| InChI | InChI=1S/C33H36O12/c1-14(2)7-8-33-29(45-33)21(35)13-32(41,31(33)40)23(36)12-19-16(4)18(9-15(3)34)26(37)25-27(38)24-20(30(39)43-6)10-17(42-5)11-22(24)44-28(19)25/h7,10-11,21,29,31,35,37,40-41H,8-9,12-13H2,1-6H3/t21-,29-,31+,32-,33-/m0/s1 |
| SMILES | CC1=C(C2=C(C(=C1CC(=O)C)O)C(=O)C3=C(O2)C=C(C=C3C(=O)OC)OC)CC(=O)[C@]4(C[C@@H]([C@H]5[C@@]([C@@H]4O)(O5)CC=C(C)C)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Liu, Ling; Liu, Shuchun; Chen, Xulin; Guo, Liangdong; Che, Yongsheng Pestalofones A-E, bioactive cyclohexanone derivatives from the plant endophytic fungus Pestalotiopsis fici Bioorganic and Medicinal Chemistry 2009 17 (2) 606-613. | ||
|---|---|---|---|
| DOI | 10.1016/j.bmc.2008.11.066 | PMID | 19101157 |
