Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA003320
PROPERTIES
| NPAID | NPA003320 |
|---|---|
| CLUSTER ID | 1862 |
| NODE ID | 312 |
| NAME | methyl phomopsenonate |
| FORMULA | C21H30O3 |
| MOLECULAR WEIGHT (Da) | 330.4680 |
| ACCURATE MASS (Da) | 330.2195 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Phomopsis |
| ORIGIN SPECIES | amygdali N2 |
| InChIKey | PYIWJULOBQCXEN-ZCTIPADRSA-N |
| InChI | InChI=1S/C21H30O3/c1-12-13-6-7-14(18(23)24-5)21(13)11-20(4)9-8-19(2,3)17(20)15(21)10-16(12)22/h14-15,17H,6-11H2,1-5H3/t14-,15+,17-,20-,21+/m1/s1 |
| SMILES | CC1=C2CC[C@@H]([C@]23C[C@]4(CCC([C@H]4[C@@H]3CC1=O)(C)C)C)C(=O)OC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Toyomasu, Tomonobu; Kaneko, Akane; Tokiwano, Tetsuo; Kanno, Yuya; Kanno, Yuri; Niida, Rie; Miura, Shigeyoshi; Nishioka, Taiki; Ikeda, Chiho; Mitsuhashi, Wataru; Dairi, Tohru; Kawano, Tomikazu; Oikawa, Hideaki; Kato, Nobuo; Sassa, Takeshi Biosynthetic gene-based secondary metabolite screening: A new diterpene, methyl phomopsenonate, from the fungus Phomopsis amygdali Journal of Organic Chemistry 2009 74 (4) 1541-1548. | ||
|---|---|---|---|
| DOI | 10.1021/jo802319e | PMID | 19161275 |
