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Compounds

COMPOUND NPA021410

STRUCTURE

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PROJECT MOLECULE TO GLOBAL VIEW	See Global

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PROPERTIES

NPAID	NPA021410
CLUSTER ID	46
NODE ID	11
NAME	4-O-demethyl-11-deoxydoxorubicin
FORMULA	C26H27NO10
MOLECULAR WEIGHT (Da)	513.4990
ACCURATE MASS (Da)	513.1635
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	peucetius var. aureus
InChIKey	ROILTUODAPUWLG-KAKOBGMRSA-N
InChI	InChI=1S/C26H27NO10/c1-10-22(31)14(27)6-18(36-10)37-16-8-26(35,17(30)9-28)7-11-5-13-21(24(33)19(11)16)25(34)20-12(23(13)32)3-2-4-15(20)29/h2-5,10,14,16,18,22,28-29,31,33,35H,6-9,27H2,1H3/t10-,14-,16-,18+,22+,26+/m1/s1
SMILES	C[C@@H]1[C@@H]([C@@H](C[C@@H](O1)O[C@@H]2C[C@@](CC3=C2C(=C4C(=C3)C(=O)C5=C(C4=O)C(=CC=C5)O)O)(C(=O)CO)O)N)O

ORIGINAL ISOLATION REFERENCE

CITATION	Cassinelli G; Rivola G; Ruggieri D; Arcamone F; Grein A; Merli S; Spalla C; Casazza AM; Di Marco A; Pratesi G NEW ANTHRACYCLINE GLYCOSIDES: 4-O-DEMETHYL-11-DEOXYDOXORUBICIN AND ANALOGUES FROM STREPTOMYCES PEUCETIUS VAR. AUREUS Journal of Antibiotics 1982 35 (2) 176-183.
DOI	10.7164/antibiotics.35.176	PMID	6951826

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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