Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000853767 | Gold | 1!CCMSLIB00000853769 |
COMPOUND NPA009887
PROPERTIES
| NPAID | NPA009887 |
|---|---|
| CLUSTER ID | 907 |
| NODE ID | 786 |
| NAME | Carneic acid A |
| FORMULA | C21H30O3 |
| MOLECULAR WEIGHT (Da) | 330.4680 |
| ACCURATE MASS (Da) | 330.2195 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Hypoxylon |
| ORIGIN SPECIES | carneum |
| InChIKey | KNDPLJZJPQWOMQ-UQBJPXDYSA-N |
| InChI | InChI=1S/C21H30O3/c1-5-13(2)20-15(4)12-17-18(22)11-10-14(3)21(17)16(20)8-6-7-9-19(23)24/h5-9,12,14,16-18,20-22H,10-11H2,1-4H3,(H,23,24)/b8-6+,9-7+,13-5+/t14-,16+,17+,18-,20+,21-/m0/s1 |
| SMILES | C/C=C(\C)[C@@H]1C(C)=C[C@H]2[C@H]([C@@H]1/C=C/C=C/C(=O)O)[C@@H](C)CC[C@@H]2O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Quang, Dang Ngoc; Stadler, Marc; Fournier, Jacques; Asakawa, Yoshinori Carneic acids A and B, chemotaxonomically significant antimicrobial agents from the xylariaceous ascomycete Hypoxylon carneum Journal of Natural Products 2006 69 (8) 1198-1202. | ||
|---|---|---|---|
| DOI | 10.1021/np0602057 | PMID | 16933875 |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | C/C=C(\C)/[C@@H]1[C@@H]([C@H]2[C@@H](CC[C@H]([C@@H]2C=C1C)O)C)/C=C/C=C/C(=O)O | Quang, Dang Ngoc; Stadler, Marc; Fournier, Jacques; Asakawa, Yoshinori Carneic acids A and B, chemotaxonomically significant antimicrobial agents from the xylariaceous ascomycete Hypoxylon carneum Journal of Natural Products 2006 69 (8) 1198-1202. DOI: 10.1021/np0602057 PMID: 16933875 | ||
| 2 | C/C=C(\C)[C@@H]1C(C)=C[C@H]2[C@H]([C@@H]1/C=C/C=C/C(=O)O)[C@@H](C)CC[C@@H]2O | Yamakoshi, Shuhei; Hayashi, Nobuyuki; Suzuki, Takahiro; Nakada, Masahisa Asymmetric total synthesis of (+)-carneic acid A and structure revision of its natural form Tetrahedron Letters 2009 50 (38) 5372-5375. DOI: 10.1016/j.tetlet.2009.07.024 | ||
