Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA012285
PROPERTIES
| NPAID | NPA012285 |
|---|---|
| CLUSTER ID | 66 |
| NODE ID | 62 |
| NAME | Secalonic acid |
| FORMULA | C32H30O14 |
| MOLECULAR WEIGHT (Da) | 638.5780 |
| ACCURATE MASS (Da) | 638.1636 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | ochraceus |
| InChIKey | KJWBDLZJSUSOLZ-ZKHWAINJSA-N |
| InChI | InChI=1S/C32H30O14/c1-11-9-17(35)21-23(37)19-15(33)7-5-13(25(19)45-31(21,27(11)39)29(41)43-3)14-6-8-16(34)20-24(38)22-18(36)10-12(2)28(40)32(22,30(42)44-4)46-26(14)20/h5-8,11-12,27-28,33-34,37-40H,9-10H2,1-4H3/t11-,12-,27+,28+,31+,32+/m1/s1 |
| SMILES | C[C@@H]1CC(=O)C2=C(C3=C(C=CC(=C3O[C@@]2([C@H]1O)C(=O)OC)C4=C5C(=C(C=C4)O)C(=C6C(=O)C[C@H]([C@@H]([C@]6(O5)C(=O)OC)O)C)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | YAMAZAKI, MIKIO; MAEBAYASHI, YUKIO; MIYAKI, KOMEI The Isolation of Secalonic Acid A from Aspergillus ochraceus cultured on Rice Chemical and Pharmaceutical Bulletin 1971 19 (1) 199-201. | ||
|---|---|---|---|
| DOI | 10.1248/cpb.19.199 | PMID | 5544365 |
