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Compounds

COMPOUND NPA001638

STRUCTURE

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PROPERTIES

NPAID	NPA001638
CLUSTER ID	201
NODE ID	188
NAME	SMTP-13
FORMULA	C28H39NO6S
MOLECULAR WEIGHT (Da)	517.6880
ACCURATE MASS (Da)	517.2498
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Stachybotrys
ORIGIN SPECIES	microspora
InChIKey	VADZLXWDWZCYAJ-HPJWIMSGSA-N
InChI	InChI=1S/C28H39NO6S/c1-17(2)8-6-9-18(3)10-7-12-28(4)24(31)15-20-23(30)14-19-21(25(20)35-28)16-29(26(19)32)22(27(33)34)11-13-36-5/h8,10,14,22,24,30-31H,6-7,9,11-13,15-16H2,1-5H3,(H,33,34)/t22-,24-,28-/m0/s1
SMILES	CC(=CCCC(=CCC[C@]1([C@H](CC2=C(C=C3C(=C2O1)CN(C3=O)[C@@H](CCSC)C(=O)O)O)O)C)C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Hasegawa, Keiko; Koide, Haruki; Hu, Weimin; Nishimura, Naoko; Narasaki, Ritsuko; Kitano, Yoshikazu; Hasumi, Keiji Structure-activity relationships of 11 new congeners of the SMTP plasminogen modulator Journal of Antibiotics 2010 63 (10) 589-593.
DOI	10.1038/ja.2010.101	PMID	20842143

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Sordariomycetes	MycoBank	147550
Order	Hypocreales	MycoBank	5125
Family	Stachybotryaceae	MycoBank	1667166
Genus	Stachybotrys	MycoBank	74721

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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