Natural Products Atlas | Compounds

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Compounds

ID	Spectrum Quality	Annotated Name
CCMSLIB00004686560	Bronze	[(2R,3R,4R,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]&2,4-dimethoxy-6-methylbenzoate
CCMSLIB00004686561	Bronze	[(2R,3R,4R,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]&2,4-dimethoxy-6-methylbenzoate
CCMSLIB00004698849	Bronze	[(2R,3R,4R,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]&2,4-dimethoxy-6-methylbenzoate
CCMSLIB00004698850	Bronze	[(2R,3R,4R,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]&2,4-dimethoxy-6-methylbenzoate
CCMSLIB00004698851	Bronze	[(2R,3R,4R,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]&2,4-dimethoxy-6-methylbenzoate
CCMSLIB00004698852	Bronze	[(2R,3R,4R,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]&2,4-dimethoxy-6-methylbenzoate
CCMSLIB00004698853	Bronze	[(2R,3R,4R,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]&2,4-dimethoxy-6-methylbenzoate
CCMSLIB00004698854	Bronze	[(2R,3R,4R,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]&2,4-dimethoxy-6-methylbenzoate
CCMSLIB00004698855	Bronze	[(2R,3R,4R,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]&2,4-dimethoxy-6-methylbenzoate
CCMSLIB00004698856	Bronze	[(2R,3R,4R,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]&2,4-dimethoxy-6-methylbenzoate
CCMSLIB00004698857	Bronze	[(2R,3R,4R,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]&2,4-dimethoxy-6-methylbenzoate
CCMSLIB00004698858	Bronze	[(2R,3R,4R,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]&2,4-dimethoxy-6-methylbenzoate
CCMSLIB00004698859	Bronze	[(2R,3R,4R,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]&2,4-dimethoxy-6-methylbenzoate
CCMSLIB00004698860	Bronze	[(2R,3R,4R,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]&2,4-dimethoxy-6-methylbenzoate
CCMSLIB00004698861	Bronze	[(2R,3R,4R,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]&2,4-dimethoxy-6-methylbenzoate
CCMSLIB00004698862	Bronze	[(2R,3R,4R,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]&2,4-dimethoxy-6-methylbenzoate
CCMSLIB00004698863	Bronze	[(2R,3R,4R,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]&2,4-dimethoxy-6-methylbenzoate
CCMSLIB00000853333	Gold	1!CCMSLIB00000850733

COMPOUND NPA005036

STRUCTURE

Image structure

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EXTERNAL LINKS

PROPERTIES

NPAID	NPA005036
CLUSTER ID	59
NODE ID	55
NAME	Kipukasin A
FORMULA	C21H24N2O10
MOLECULAR WEIGHT (Da)	464.4270
ACCURATE MASS (Da)	464.1431
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Aspergillus
ORIGIN SPECIES	versicolor
InChIKey	MAWCJLLSYLMLHT-UTRMSSBJSA-N
InChI	InChI=1S/C21H24N2O10/c1-10-7-12(29-3)8-13(30-4)16(10)20(27)33-17-14(9-24)32-19(18(17)31-11(2)25)23-6-5-15(26)22-21(23)28/h5-8,14,17-19,24H,9H2,1-4H3,(H,22,26,28)/t14-,17-,18-,19-/m1/s1
SMILES	CC1=CC(=CC(=C1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2OC(=O)C)N3C=CC(=O)NC3=O)CO)OC)OC

ORIGINAL ISOLATION REFERENCE

CITATION	Jiao, Ping; Mudur, Sanjay V.; Gloer, James B.; Wicklow, Donald T. Kipukasins, nucleoside derivatives from Aspergillus versicolor Journal of Natural Products 2007 70 (8) 1308-1311.
DOI	10.1021/np070241l	PMID	17608440

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Eurotiomycetes	MycoBank	147545
Order	Eurotiales	MycoBank	5042
Family	Aspergillaceae	MycoBank	1131492
Genus	Aspergillus	MycoBank	5052

SYNTHESES

CITATION 1	Li C; Ding H; Ruan Z; Zhou Y; Xiao Q First total synthesis of kipukasin A. Beilstein Journal of Organic Chemistry 2017 13 855-862. DOI: 10.3762/bjoc.13.86 PMID: 28546843

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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