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Compounds

COMPOUND NPA005118

STRUCTURE

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PROPERTIES

NPAID	NPA005118
CLUSTER ID	2567
NODE ID	2013
NAME	Isoquinocycline A
FORMULA	C33H34N2O10
MOLECULAR WEIGHT (Da)	618.6390
ACCURATE MASS (Da)	618.2213
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	aureofaciens
InChIKey	LHDJGLQULHMCSJ-WGNOBJAYSA-N
InChI	InChI=1S/C33H34N2O10/c1-13(36)33(42)14(2)43-22(10-21(33)38)44-29-18-9-17-25(26(39)16-5-4-6-20(37)24(16)27(17)40)28(41)23(18)19-12-31(29,3)45-32(19)11-15-7-8-34-30(15)35-32/h4-6,9,11,13-14,19,21-22,29,36-38,41-42H,7-8,10,12H2,1-3H3,(H,34,35)/t13?,14?,19?,21?,22?,29-,31-,32-,33?/m1/s1
SMILES	CC1C(C(CC(O1)O[C@@H]2C3=C(C4C[C@]2(O[C@]45C=C6CCN=C6N5)C)C(=C7C(=C3)C(=O)C8=C(C7=O)C=CC=C8O)O)O)(C(C)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Tulinsky, A The structure of isoquinocycline A. An X-ray crystallographic determination Journal of the American Chemical Society 1964 86 (23) 5368-5369.
DOI	10.1021/ja01077a089	PMID	-

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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