Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA003281
PROPERTIES
| NPAID | NPA003281 |
|---|---|
| CLUSTER ID | 863 |
| NODE ID | 747 |
| NAME | Armillarikin |
| FORMULA | C24H29ClO7 |
| MOLECULAR WEIGHT (Da) | 464.9420 |
| ACCURATE MASS (Da) | 464.1602 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Armillaria |
| ORIGIN SPECIES | mellea |
| InChIKey | LNEWYAZEAYTKQI-UEXMDZLUSA-N |
| InChI | InChI=1S/C24H29ClO7/c1-11-17(14(27)7-15(31-5)19(11)25)21(29)32-16-9-23(4)18-12(8-22(2,3)20(18)28)6-13(10-26)24(16,23)30/h6-7,10,12,16,18,20,27-28,30H,8-9H2,1-5H3/t12-,16-,18-,20-,23-,24+/m1/s1 |
| SMILES | CC1=C(C(=CC(=C1Cl)OC)O)C(=O)O[C@@H]2C[C@]3([C@@]2(C(=C[C@H]4[C@@H]3[C@H](C(C4)(C)C)O)C=O)O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Yang, J S; Su, Y L; Wang, Y L; Feng, X Z; Yu, D Q; Cong, P Z; Tamai, M; Obuchi, T; Kondoh, H; Liang, X T Isolation and structures of two new sesquiterpenoid aromatic esters: armillarigin and armillarikin1 Planta Medica 1989 55 (5) 479-481. | ||
|---|---|---|---|
| DOI | 10.1055/s-2006-962070 | PMID | 17262464 |
