Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000478098 | Silver | Secalonic&acid&D&(SAD)_130002 |
| CCMSLIB00006126873 | Gold | 3 |
| CCMSLIB00004751495 | Gold | 3!CCMSLIB00004751514 |
| CCMSLIB00005719087 | Gold | 3 |
| CCMSLIB00005720141 | Gold | 3 |
| CCMSLIB00005720142 | Gold | 3 |
| CCMSLIB00005720143 | Gold | 3 |
| CCMSLIB00005720146 | Gold | 3 |
COMPOUND NPA019213
PROPERTIES
| NPAID | NPA019213 |
|---|---|
| CLUSTER ID | 66 |
| NODE ID | 62 |
| NAME | Secalonic acid B |
| FORMULA | C32H30O14 |
| MOLECULAR WEIGHT (Da) | 638.5780 |
| ACCURATE MASS (Da) | 638.1636 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Blennoria |
| ORIGIN SPECIES | sp. |
| InChIKey | NFZJAYYORNVZNI-HFEWAROQSA-N |
| InChI | InChI=1S/C32H30O14/c1-11-9-15(33)21-25(37)19-17(45-31(21,27(11)39)29(41)43-3)7-5-13(23(19)35)14-6-8-18-20(24(14)36)26(38)22-16(34)10-12(2)28(40)32(22,46-18)30(42)44-4/h5-8,11-12,27-28,35-40H,9-10H2,1-4H3/t11-,12-,27-,28-,31+,32+/m0/s1 |
| SMILES | C[C@H]1CC(=O)C2=C(C3=C(C=CC(=C3O)C4=C(C5=C(C=C4)O[C@]6([C@H]([C@H](CC(=O)C6=C5O)C)O)C(=O)OC)O)O[C@]2([C@H]1O)C(=O)OC)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | APSIMON, J W; CORRAN, J A; CREASEY, N G; MARLOW, W; WHALLEY, W B; SIM, K Y THE CHEMISTRY OF FUNGI. XLVII. THE CONSTITUTION OF ERGOCHRYSIN A, SECALONIC ACID A, AND SECALONIC ACID B Journal of the Chemical Society 1965 25 4144-4156. | ||
|---|---|---|---|
| DOI | 10.1039/jr9650004144 | PMID | 14342840 |
