Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA016728
PROPERTIES
NPAID | NPA016728 |
---|---|
CLUSTER ID | 2104 |
NODE ID | 1683 |
NAME | Tropolactone C |
FORMULA | C26H32O6 |
MOLECULAR WEIGHT (Da) | 440.5360 |
ACCURATE MASS (Da) | 440.2199 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Aspergillus |
ORIGIN SPECIES | sp. |
InChIKey | IAPFNCDIAZGJJT-JZWJADFXSA-N |
InChI | InChI=1S/C26H32O6/c1-14-12-16-13-18-25(5)10-9-19(27)31-24(3,4)17(25)8-11-26(18,6)32-22(16)15(2)21(28)20(14)23(29)30-7/h9-10,12,17-18H,8,11,13H2,1-7H3/t17-,18-,25-,26-/m0/s1 |
SMILES | CC1=C(C(=O)C(=C2C(=C1)C[C@@H]3[C@@](O2)(CC[C@@H]4[C@@]3(C=CC(=O)OC4(C)C)C)C)C)C(=O)OC |
ORIGINAL ISOLATION REFERENCE
CITATION | Cueto, Mercedes; MacMillan, John B.; Jensen, Paul R.; Fenical, William Tropolactones A-D, four meroterpenoids from a marine-derived fungus of the genus Aspergillus Phytochemistry 2006 67 (16) 1826-1831. | ||
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DOI | 10.1016/j.phytochem.2006.01.008 | PMID | 16500687 |