Natural Products Atlas | Compounds

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Compounds

ID	Spectrum Quality	Annotated Name
CCMSLIB00000086136	Gold	1
CCMSLIB00006581761	Gold	1
CCMSLIB00000579756	Gold	1
CCMSLIB00006718072	Gold	3
CCMSLIB00005776085	Gold	3
CCMSLIB00005777116	Gold	3
CCMSLIB00005772288	Gold	3
CCMSLIB00005772914	Gold	3
CCMSLIB00005774009	Gold	3
CCMSLIB00005772290	Gold	3
CCMSLIB00000207571	Gold	3
CCMSLIB00000207572	Gold	3
CCMSLIB00000207573	Gold	3
CCMSLIB00000207574	Gold	3
CCMSLIB00000207575	Gold	3
CCMSLIB00000207576	Gold	3
CCMSLIB00000207577	Gold	3
CCMSLIB00000207578	Gold	3
CCMSLIB00000207579	Gold	3
CCMSLIB00000207580	Gold	3
CCMSLIB00000207581	Gold	3
CCMSLIB00000207582	Gold	3
CCMSLIB00000207583	Gold	3
CCMSLIB00000207584	Gold	3
CCMSLIB00005755208	Gold	3
CCMSLIB00005755231	Gold	3
CCMSLIB00005755214	Gold	3
CCMSLIB00005726870	Gold	3
CCMSLIB00005726393	Gold	3
CCMSLIB00005726205	Gold	3
CCMSLIB00005726302	Gold	3
CCMSLIB00005726682	Gold	3
CCMSLIB00005726493	Gold	3
CCMSLIB00005726629	Gold	3
CCMSLIB00005726142	Gold	3
CCMSLIB00000841613	Gold	3
CCMSLIB00000842046	Gold	3
CCMSLIB00003135871	Gold	3
CCMSLIB00003137365	Gold	3

COMPOUND NPA031474

STRUCTURE

Image structure

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

EXTERNAL LINKS

PROPERTIES

NPAID	NPA031474
CLUSTER ID	9158
NODE ID	6146
NAME	N,N-Diethyl-3-methylbenzamide
FORMULA	C12H17NO
MOLECULAR WEIGHT (Da)	191.2740
ACCURATE MASS (Da)	191.1310
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Penicillium
ORIGIN SPECIES	sp. KMM 4672
InChIKey	MMOXZBCLCQITDF-UHFFFAOYSA-N
InChI	InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3
SMILES	CCN(CC)C(=O)C1=CC=CC(C)=C1

ORIGINAL ISOLATION REFERENCE

CITATION	Smetanina, O. F.; Yurchenko, A. N.; Ivanets, E. V.; Gerasimenko, A. V.; Trinh, P. T. H.; Ly, B. M.; Nhut, N. D.; Van, T. T. T.; Yurchenko, E. A.; Afiyatullov, Sh. Sh. Aromatic Metabolites of Marine Fungus Penicillium sp. KMM 4672 Associated with a Brown Alga Padina sp.. Chemistry of Natural Compounds 2017 53 (3) 600-602.
DOI	10.1007/s10600-017-2064-6	PMID	-

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	Penicillium	MycoBank	5073

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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