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Compounds

COMPOUND NPA006205

STRUCTURE

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PROPERTIES

NPAID	NPA006205
CLUSTER ID	46
NODE ID	11
NAME	IT-62-B
FORMULA	C39H47NO15
MOLECULAR WEIGHT (Da)	769.7970
ACCURATE MASS (Da)	769.2946
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	sp. IT-62
InChIKey	JVRLFIBJALHFAP-JLHPLHHJSA-N
InChI	InChI=1S/C39H47NO15/c1-15(14-41)35-37(48)40-22-11-26(51-17(3)36(22)54-25(10-16(2)42)52-18(4)38(40)55-35)53-24-13-39(49,19(5)43)12-21-28(24)34(47)30-29(32(21)45)31(44)20-8-7-9-23(50-6)27(20)33(30)46/h7-9,15-18,22,24-26,35-36,38,41-42,45,47,49H,10-14H2,1-6H3/t15?,16?,17-,18?,22-,24-,25?,26?,35?,36+,38?,39-/m0/s1
SMILES	C[C@H]1[C@@H]2[C@H](CC(O1)O[C@H]3C[C@@](CC4=C(C5=C(C(=C34)O)C(=O)C6=C(C5=O)C=CC=C6OC)O)(C(=O)C)O)N7C(C(OC(O2)CC(C)O)C)OC(C7=O)C(C)CO

ORIGINAL ISOLATION REFERENCE

CITATION	Kawauchi, Takashi; Sasaki, Toru; Yoshida, Ken-Ichiro; Matsumoto, Hiroshi; Chen, Ru-Xian; Huang, Ming-Yu; Otani, Toshio A new anthracycline antibiotic, IT-62-B, converts the morphology of ras-transformed cells back to normal: Taxonomy, fermentation, isolation, structure elucidation and biological characterization Journal of Antibiotics 1997 50 (4) 297-303.
DOI	10.7164/antibiotics.50.297	PMID	9186553

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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