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Compounds

COMPOUND NPA014585

STRUCTURE

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PROPERTIES

NPAID	NPA014585
CLUSTER ID	1239
NODE ID	1050
NAME	N‐(4‐O‐carbamoyl‐β‐D‐glucopyranosyl)‐N‐demethylansamitocin P
FORMULA	C36H48ClN3O15
MOLECULAR WEIGHT (Da)	798.2390
ACCURATE MASS (Da)	797.2774
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Actinosynnema
ORIGIN SPECIES	pretiosum
InChIKey	BESFOVJZYFNUQE-KVTCPVOUSA-N
InChI	InChI=1S/C36H48ClN3O15/c1-16-8-7-9-24(50-6)36(48)14-22(53-34(47)39-36)17(2)31-35(4,55-31)25(51-18(3)42)13-26(43)40(20-11-19(10-16)12-21(49-5)27(20)37)32-29(45)28(44)30(54-33(38)46)23(15-41)52-32/h7-9,11-12,17,22-25,28-32,41,44-45,48H,10,13-15H2,1-6H3,(H2,38,46)(H,39,47)/b9-7-,16-8-/t17-,22+,23-,24-,25+,28-,29-,30-,31+,32-,35+,36+/m1/s1
SMILES	C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C\C=C(/CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)C)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)OC(=O)N)O)O)\C)OC)(NC(=O)O2)O

ORIGINAL ISOLATION REFERENCE

CITATION	Ma, Juan; Shen, Yue-Mao; Zeng, Ying; Zhao, Pei-Ji Two New N-(O-Carbamoylglucopyranosyl)-N-dimethylansamitocins from Actinosynnema pretiosum Helvetica Chimica Acta 2012 95 (9) 1630-1636.
DOI	10.1002/hlca.201200072	PMID	-

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Actinobacteria	LPSN	201174
Class	Actinobacteria	LPSN	-
Order	Pseudonocardiales	LPSN	85010
Family	Pseudonocardiaceae	LPSN	2070
Genus	Actinosynnema	LPSN	40566

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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