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Compounds

COMPOUND NPA008987

STRUCTURE

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PROPERTIES

NPAID	NPA008987
CLUSTER ID	3788
NODE ID	2844
NAME	Anthramycin
FORMULA	C16H17N3O4
MOLECULAR WEIGHT (Da)	315.3290
ACCURATE MASS (Da)	315.1219
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Unknown-fungus
ORIGIN SPECIES	sp.
InChIKey	VGQOVCHZGQWAOI-HWKANZROSA-N
InChI	InChI=1S/C16H17N3O4/c1-8-2-4-10-13(14(8)21)18-15(22)11-6-9(3-5-12(17)20)7-19(11)16(10)23/h2-5,7,11,15,18,21-22H,6H2,1H3,(H2,17,20)/b5-3+
SMILES	CC1=C(C2=C(C=C1)C(=O)N3C=C(CC3C(N2)O)/C=C/C(=O)N)O

ORIGINAL ISOLATION REFERENCE

CITATION	Leimgruber, W; Batcho, AD; Schenker, F The structure of anthramycin Journal of the American Chemical Society 1965 87 (24) 5793-5795.
DOI	10.1021/ja00952a051	PMID	5845428

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Genus	Unknown-fungus	MycoBank	-

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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