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Compounds

COMPOUND NPA016545

STRUCTURE

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PROPERTIES

NPAID	NPA016545
CLUSTER ID	2920
NODE ID	2249
NAME	Halawanone B
FORMULA	C22H20O9
MOLECULAR WEIGHT (Da)	428.3930
ACCURATE MASS (Da)	428.1107
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	sp.
InChIKey	YGVMUNHDZVDGIR-FEHICGGUSA-N
InChI	InChI=1S/C22H20O9/c1-7-17-11(22-15(29-7)6-16(25)31-22)3-9-12(23)4-10(20(27)18(9)21(17)28)14-5-13(24)19(26)8(2)30-14/h3-4,7-8,13-15,22,24,28H,5-6H2,1-2H3/t7-,8-,13-,14-,15-,22-/m1/s1
SMILES	C[C@@H]1C(=O)[C@@H](C[C@@H](O1)C2=CC(=O)C3=CC4=C([C@H](O[C@H]5[C@@H]4OC(=O)C5)C)C(=C3C2=O)O)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

CLASSYFIRE

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DESCRIPTION	[[ getValue('description') ]]
KINGDOM	[[ getValue('kingdom') ]]
SUPER CLASS	[[ getValue('superclass') ]]
CLASS	[[ getValue('class') ]]
SUB CLASS	[[ getValue('subclass') ]]
MOLECULAR FRAMEWORK	[[ getValue('molecular_framework') ]]

NP CLASSIFIER

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SUPER CLASS	[[ getValue('superclass_results') ]]
CLASS	[[ getValue('class_results') ]]
PATHWAY	[[ getValue('pathway_results') ]]
IS GLYCOSIDE?	[[ getValue('isglycoside') ]]

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