Natural Products Atlas

Compounds

ID	Spectrum Quality	Annotated Name
CCMSLIB00004686935	Bronze	[4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]&4-hydroxy-2-methoxy-6-methylbenzoate
CCMSLIB00004686936	Bronze	[4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]&4-hydroxy-2-methoxy-6-methylbenzoate
CCMSLIB00004686937	Bronze	[4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]&4-hydroxy-2-methoxy-6-methylbenzoate
CCMSLIB00004686938	Bronze	[4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]&4-hydroxy-2-methoxy-6-methylbenzoate
CCMSLIB00004701330	Bronze	[4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]&4-hydroxy-2-methoxy-6-methylbenzoate
CCMSLIB00004701331	Bronze	[4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]&4-hydroxy-2-methoxy-6-methylbenzoate
CCMSLIB00004701332	Bronze	[4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]&4-hydroxy-2-methoxy-6-methylbenzoate
CCMSLIB00004701333	Bronze	[4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]&4-hydroxy-2-methoxy-6-methylbenzoate
CCMSLIB00004701334	Bronze	[4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]&4-hydroxy-2-methoxy-6-methylbenzoate
CCMSLIB00004701335	Bronze	[4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]&4-hydroxy-2-methoxy-6-methylbenzoate
CCMSLIB00004701336	Bronze	[4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]&4-hydroxy-2-methoxy-6-methylbenzoate
CCMSLIB00004701337	Bronze	[4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]&4-hydroxy-2-methoxy-6-methylbenzoate
CCMSLIB00004701338	Bronze	[4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]&4-hydroxy-2-methoxy-6-methylbenzoate
CCMSLIB00004701339	Bronze	[4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]&4-hydroxy-2-methoxy-6-methylbenzoate
CCMSLIB00004701340	Bronze	[4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]&4-hydroxy-2-methoxy-6-methylbenzoate
CCMSLIB00004701341	Bronze	[4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]&4-hydroxy-2-methoxy-6-methylbenzoate
CCMSLIB00004701342	Bronze	[4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]&4-hydroxy-2-methoxy-6-methylbenzoate
CCMSLIB00004701343	Bronze	[4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]&4-hydroxy-2-methoxy-6-methylbenzoate
CCMSLIB00004701344	Bronze	[4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]&4-hydroxy-2-methoxy-6-methylbenzoate
CCMSLIB00000849375	Gold	1!CCMSLIB00000853330
CCMSLIB00012132184	Gold	4
CCMSLIB00012132185	Gold	4
CCMSLIB00009971981	Gold	4
CCMSLIB00009971982	Gold	4

COMPOUND NPA007653

STRUCTURE

EXPORT OPTIONS	PNG JSON SDF
PROJECT MOLECULE TO GLOBAL VIEW	See Global

EXTERNAL LINKS

PROPERTIES

NPAID	NPA007653
CLUSTER ID	59
NODE ID	55
NAME	Kipukasin B
FORMULA	C20H22N2O10
MOLECULAR WEIGHT (Da)	450.4000
ACCURATE MASS (Da)	450.1274
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Aspergillus
ORIGIN SPECIES	versicolor
InChIKey	ULPUBSPPYRXUOZ-BNEJOLLZSA-N
InChI	InChI=1S/C20H22N2O10/c1-9-6-11(25)7-12(29-3)15(9)19(27)32-16-13(8-23)31-18(17(16)30-10(2)24)22-5-4-14(26)21-20(22)28/h4-7,13,16-18,23,25H,8H2,1-3H3,(H,21,26,28)/t13-,16-,17-,18-/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)O

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

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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Compounds

COMPOUND NPA007653

STRUCTURE

PROPERTIES

ORIGINAL ISOLATION REFERENCE

ORIGINAL ISOLATION TAXONOMY

CLASSYFIRE

NP CLASSIFIER