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Compounds

COMPOUND NPA006033

STRUCTURE

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PROPERTIES

NPAID	NPA006033
CLUSTER ID	1239
NODE ID	1050
NAME	N‐(6‐O‐carbamoyl‐β‐D‐glucopyranosyl)‐N‐demethylansamitocin P
FORMULA	C37H50ClN3O15
MOLECULAR WEIGHT (Da)	812.2660
ACCURATE MASS (Da)	811.2930
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Actinosynnema
ORIGIN SPECIES	pretiosum
InChIKey	YORHSEYBWHGBQM-KMKLMHINSA-N
InChI	InChI=1S/C37H50ClN3O15/c1-7-27(43)55-25-14-26(42)41(33-31(46)30(45)29(44)23(53-33)16-52-34(39)47)20-12-19(13-21(50-5)28(20)38)11-17(2)9-8-10-24(51-6)37(49)15-22(54-35(48)40-37)18(3)32-36(25,4)56-32/h8-10,12-13,18,22-25,29-33,44-46,49H,7,11,14-16H2,1-6H3,(H2,39,47)(H,40,48)/b10-8-,17-9-/t18-,22+,23-,24-,25+,29-,30+,31-,32+,33-,36+,37+/m1/s1
SMILES	CCC(=O)O[C@H]1CC(=O)N(C2=C(C(=CC(=C2)C/C(=C\C=C/[C@H]([C@]3(C[C@@H]([C@H]([C@H]4[C@]1(O4)C)C)OC(=O)N3)O)OC)/C)OC)Cl)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)N)O)O)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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