Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA004461
PROPERTIES
NPAID | NPA004461 |
---|---|
CLUSTER ID | 420 |
NODE ID | 379 |
NAME | Halawanone D |
FORMULA | C22H22O7 |
MOLECULAR WEIGHT (Da) | 398.4110 |
ACCURATE MASS (Da) | 398.1366 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Streptomyces |
ORIGIN SPECIES | sp. |
InChIKey | XAPCBICNZSELEW-OKZQZZHASA-N |
InChI | InChI=1S/C22H22O7/c1-3-11-7-12(29-17-9-16(24)20(25)10(2)28-17)8-14-18(11)22(27)19-13(21(14)26)5-4-6-15(19)23/h4-8,10,16-17,20,23-25H,3,9H2,1-2H3/t10-,16-,17+,20-/m1/s1 |
SMILES | CCC1=C2C(=CC(=C1)O[C@H]3C[C@H]([C@@H]([C@H](O3)C)O)O)C(=O)C4=C(C2=O)C(=CC=C4)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Ford, Paul W.; Gadepalli, Madhavi; Davidson, Bradley S. Halawanones A-D, New Polycyclic Quinones from a Marine-Derived Streptomycete Journal of Natural Products 1998 61 (10) 1232-1236. | ||
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DOI | 10.1021/np980126y | PMID | 9784158 |