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Compounds

COMPOUND NPA006923

STRUCTURE

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PROPERTIES

NPAID	NPA006923
CLUSTER ID	201
NODE ID	188
NAME	SMTP-33
FORMULA	C29H41NO9
MOLECULAR WEIGHT (Da)	547.6450
ACCURATE MASS (Da)	547.2781
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Stachybotrys
ORIGIN SPECIES	microspora
InChIKey	WAWWYDSNPAJUCG-PZQDVNKUSA-N
InChI	InChI=1S/C29H41NO9/c1-15(2)7-5-8-16(3)9-6-10-29(4)22(33)12-18-20(32)11-17-19(26(18)39-29)13-30(27(17)36)23-25(35)24(34)21(14-31)38-28(23)37/h7,9,11,21-25,28,31-35,37H,5-6,8,10,12-14H2,1-4H3/t21-,22+,23-,24-,25-,28?,29+/m1/s1
SMILES	CC(=CCCC(=CCC[C@]1([C@H](CC2=C(C=C3C(=C2O1)CN(C3=O)[C@@H]4[C@H]([C@@H]([C@H](OC4O)CO)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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