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Compounds

COMPOUND NPA000547

STRUCTURE

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PROPERTIES

NPAID	NPA000547
CLUSTER ID	420
NODE ID	379
NAME	Halawanone C
FORMULA	C21H20O7
MOLECULAR WEIGHT (Da)	384.3840
ACCURATE MASS (Da)	384.1209
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	sp.
InChIKey	UMOJVSPPJLAURW-WEYDICRYSA-N
InChI	InChI=1S/C21H20O7/c1-9-6-11(28-16-8-15(23)19(24)10(2)27-16)7-13-17(9)21(26)18-12(20(13)25)4-3-5-14(18)22/h3-7,10,15-16,19,22-24H,8H2,1-2H3/t10-,15-,16+,19-/m1/s1
SMILES	C[C@@H]1[C@H]([C@@H](C[C@@H](O1)OC2=CC(=C3C(=C2)C(=O)C4=C(C3=O)C(=CC=C4)O)C)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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