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Compounds

COMPOUND NPA017539

STRUCTURE

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PROPERTIES

NPAID	NPA017539
CLUSTER ID	26
NODE ID	25
NAME	Malformin B1b
FORMULA	C23H39N5O5S2
MOLECULAR WEIGHT (Da)	529.7290
ACCURATE MASS (Da)	529.2393
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Aspergillus
ORIGIN SPECIES	niger
InChIKey	TZODYIWCRGWHQB-TZNCUMHOSA-N
InChI	InChI=1S/C23H39N5O5S2/c1-11(2)7-14-20(30)26-16-9-34-35-10-17(27-21(16)31)22(32)28-18(13(5)6)23(33)25-15(8-12(3)4)19(29)24-14/h11-18H,7-10H2,1-6H3,(H,24,29)(H,25,33)(H,26,30)(H,27,31)(H,28,32)/t14-,15+,16+,17+,18-/m0/s1
SMILES	CC(C)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	Kim, Kun-Woo; Sugawara, Fumio; Uzawa, Jun; Yoshida, Shigeo; Murofushi, Noboru; Takahashi, Nobutaka; Curtis, Roy W.; Kanai, Michiko Structure of malformin B, phytotoxic metabolites produced by Aspergillus niger Tetrahedron Letters 1991 32 (46) 6715-6718.
DOI	10.1016/s0040-4039(00)93584-6	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	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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