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Compounds

COMPOUND NPA019613

STRUCTURE

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PROPERTIES

NPAID	NPA019613
CLUSTER ID	26
NODE ID	25
NAME	Malformin A1
FORMULA	C23H39N5O5S2
MOLECULAR WEIGHT (Da)	529.7290
ACCURATE MASS (Da)	529.2393
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Aspergillus
ORIGIN SPECIES	tubingensis
InChIKey	RNCGDQLZIATDOU-ZDRBWGSPSA-N
InChI	InChI=1S/C23H39N5O5S2/c1-7-13(6)18-23(33)26-15-9-34-35-10-16(25-20(15)30)21(31)27-17(12(4)5)22(32)24-14(8-11(2)3)19(29)28-18/h11-18H,7-10H2,1-6H3,(H,24,32)(H,25,30)(H,26,33)(H,27,31)(H,28,29)/t13-,14+,15+,16+,17-,18-/m0/s1
SMILES	CC[C@H](C)[C@H]1C(=O)N[C@@H]2CSSC[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)CC(C)C)C(C)C)NC2=O

ORIGINAL ISOLATION REFERENCE

CITATION	Zhan, Jixun; Gunaherath, G.M. Kamal B.; Wijeratne, E.M. Kithsiri; Gunatilaka, A.A. Leslie Asperpyrone D and other metabolites of the plant-associated fungal strain Aspergillus tubingensis Phytochemistry 2007 68 (3) 368-372.
DOI	10.1016/j.phytochem.2006.09.038	PMID	17150233

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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