Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA004211
PROPERTIES
| NPAID | NPA004211 |
|---|---|
| CLUSTER ID | 67 |
| NODE ID | 63 |
| NAME | Ergoxanthin |
| FORMULA | C31H28O14 |
| MOLECULAR WEIGHT (Da) | 624.5510 |
| ACCURATE MASS (Da) | 624.1479 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Blennoria |
| ORIGIN SPECIES | sp. |
| InChIKey | SWIZJORSFXSOLY-UHFFFAOYSA-N |
| InChI | InChI=1S/C31H28O14/c1-11-8-18-30(40)25(37)21-17(45-31(30,24(11)36)28(39)42-18)7-5-14(23(21)35)13-4-6-16-20(22(13)34)15(32)10-29(44-16,27(38)41-3)26-12(2)9-19(33)43-26/h4-7,11-12,18,24,26,34-36,40H,8-10H2,1-3H3 |
| SMILES | CC1CC2C3(C(=O)C4=C(C=CC(=C4O)C5=C(C6=C(C=C5)OC(CC6=O)(C7C(CC(=O)O7)C)C(=O)OC)O)OC3(C1O)C(=O)O2)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Hooper, J W; Marlow, W; Whalley, W B; Borthwick, A D; Bowden, R The chemistry of fungi. lxv. The structures of ergochrysin A isoergochrysin A isoergochrysin A, and ergoxanthin, and of secalonic acids A, B, C, and D Journal of the Chemical Society, Perkin Transactions 1 1971 21 3580-3590. | ||
|---|---|---|---|
| DOI | 10.1039/j39710003580 | PMID | 5167268 |
