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Compounds

COMPOUND NPA022343

STRUCTURE

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PROPERTIES

NPAID	NPA022343
CLUSTER ID	46
NODE ID	11
NAME	Emodacidamide F
FORMULA	C21H18ClNO8
MOLECULAR WEIGHT (Da)	447.8270
ACCURATE MASS (Da)	447.0721
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Penicillium
ORIGIN SPECIES	sp. SCSIO sof101
InChIKey	WHACVUABXCQHBE-GYKQLYQFSA-N
InChI	InChI=1S/C21H18ClNO8/c1-3-7(2)16(21(30)31)23-20(29)8-4-9-13(11(24)5-8)18(27)14-10(17(9)26)6-12(25)15(22)19(14)28/h4-7,16,24-25,28H,3H2,1-2H3,(H,23,29)(H,30,31)/t7-,16-/m0/s1
SMILES	CC[C@H](C)[C@@H](C(=O)O)NC(=O)C1=CC(=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)Cl)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Luo, Minghe; Cui, Zhaomeng; Huang, Hongbo; Song, Xianqin; Sun, Aijun; Dang, Yongjun; Lu, Laichun; Ju, Jianhua Amino Acid Conjugated Anthraquinones from the Marine-Derived Fungus Penicillium sp. SCSIO sof101 Journal of Natural Products 2017 80 (5) 1668-1673.
DOI	10.1021/acs.jnatprod.7b00269	PMID	28509552

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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