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Compounds

COMPOUND NPA022338

STRUCTURE

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PROPERTIES

NPAID	NPA022338
CLUSTER ID	46
NODE ID	11
NAME	Emodacidamide A
FORMULA	C21H19NO8
MOLECULAR WEIGHT (Da)	413.3820
ACCURATE MASS (Da)	413.1111
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Penicillium
ORIGIN SPECIES	sp. SCSIO sof101
InChIKey	MJPQABXBKRQYAG-KRWDZBQOSA-N
InChI	InChI=1S/C21H19NO8/c1-8(2)17(21(29)30-3)22-20(28)9-4-11-15(13(24)5-9)19(27)16-12(18(11)26)6-10(23)7-14(16)25/h4-8,17,23-25H,1-3H3,(H,22,28)/t17-/m0/s1
SMILES	CC(C)[C@@H](C(=O)OC)NC(=O)C1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)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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