Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA025240
PROPERTIES
| NPAID | NPA025240 |
|---|---|
| CLUSTER ID | 4555 |
| NODE ID | 3331 |
| NAME | Phomanolide C |
| FORMULA | C32H40O8 |
| MOLECULAR WEIGHT (Da) | 552.6640 |
| ACCURATE MASS (Da) | 552.2723 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Phoma |
| ORIGIN SPECIES | sp. |
| InChIKey | YSGFLTBUANOFHK-SYJZOXLASA-N |
| InChI | InChI=1S/C32H40O8/c1-18-10-22(33)14-24-23(18)12-21-15-28(3,4)8-7-9-29(5)20(13-25(34)30(21,6)37-24)16-31-19(2)11-26(35)39-32(31,40-29)17-27(36)38-31/h7-8,10-11,14,20-21,25,33-34H,9,12-13,15-17H2,1-6H3/b8-7+/t20-,21+,25+,29+,30+,31+,32-/m1/s1 |
| SMILES | CC1=CC(=CC2=C1C[C@H]3CC(/C=C/C[C@]4([C@H](C[C@@H]([C@]3(O2)C)O)C[C@]56C(=CC(=O)O[C@@]5(O4)CC(=O)O6)C)C)(C)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Zhang J; Li Y; Ren F; Zhang Y; Liu X; Liu L; Che Y Phomanolides C-F from a Phoma sp.: Meroterpenoids Generated via Hetero-Diels-Alder Reactions. Journal of Natural Products 2019 82 (6) 1678-1685. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.9b00281 | PMID | 31120749 |
