Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA032767
PROPERTIES
| NPAID | NPA032767 |
|---|---|
| CLUSTER ID | 9476 |
| NODE ID | 433 |
| NAME | Anditomin |
| FORMULA | C25H30O5 |
| MOLECULAR WEIGHT (Da) | 410.5100 |
| ACCURATE MASS (Da) | 410.2093 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | variecolor |
| InChIKey | HWLYZRWDCDSFFO-VIJQBOBYSA-N |
| InChI | InChI=1S/C25H30O5/c1-13-17-18-23(5)8-7-16(26)30-21(2,3)15(23)6-9-24(18)11-22(4,19(17)27)10-14-20(28)29-12-25(13,14)24/h7-8,14-15,17-18H,1,6,9-12H2,2-5H3/t14-,15+,17?,18+,22-,23+,24+,25+/m1/s1 |
| SMILES | C=C1C2C(=O)[C@]3(C)C[C@@H]4C(=O)OC[C@]14[C@@]1(CC[C@H]4C(C)(C)OC(=O)C=C[C@]4(C)[C@H]21)C3 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Simpson, Thomas J.; Walkinshaw, Malcolm D. Anditomin, a new C25 metabolite from Aspergillus variecolor. Journal of the Chemical Society, Chemical Communications 1981 (17) 914. | ||
|---|---|---|---|
| DOI | 10.1039/c39810000914 | PMID | - |
