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Compounds

COMPOUND NPA004461

STRUCTURE
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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.
DOI 10.1021/np980126y PMID 9784158
ORIGINAL ISOLATION TAXONOMY
RANK NAME DB LINK NCBI
Domain Bacteria LPSN 2
Phylum Actinobacteria LPSN 201174
Class Actinobacteria LPSN -
Order Streptomycetales LPSN 85011
Family Streptomycetaceae LPSN 2062
Genus Streptomyces LPSN 1883
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