Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA006023
PROPERTIES
| NPAID | NPA006023 |
|---|---|
| CLUSTER ID | 863 |
| NODE ID | 747 |
| NAME | Melleolide Q |
| FORMULA | C23H31ClO7 |
| MOLECULAR WEIGHT (Da) | 454.9470 |
| ACCURATE MASS (Da) | 454.1758 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Armillaria |
| ORIGIN SPECIES | mellea |
| InChIKey | DEMXZQWBLZZLIK-NROMFKPGSA-N |
| InChI | InChI=1S/C23H31ClO7/c1-10-17(14(26)5-15(27)18(10)24)20(29)31-16-8-22(4)12-7-21(2,3)6-11(12)19(28)13(9-25)23(16,22)30/h5,11-13,16,19,25-28,30H,6-9H2,1-4H3/t11-,12+,13-,16-,19+,22-,23+/m1/s1 |
| SMILES | CC1=C(C(=CC(=C1Cl)O)O)C(=O)O[C@@H]2C[C@]3([C@@]2([C@@H]([C@H]([C@H]4[C@@H]3CC(C4)(C)C)O)CO)O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Chen, Chien-Chih; Kuo, Yueh-Hsiung; Cheng, Jing-Jy; Sung, Ping-Jyun; Ni, Ching-Li; Chen, Chin-Chu; Shen, Chien-Chang Three new sesquiterpene aryl esters from the mycelium of armillaria mellea Molecules 2015 20 (6) 9994-10003. | ||
|---|---|---|---|
| DOI | 10.3390/molecules20069994 | PMID | 26035099 |
