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Compounds

COMPOUND NPA007885

STRUCTURE

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PROPERTIES

NPAID	NPA007885
CLUSTER ID	2336
NODE ID	1844
NAME	Thiochondrilline B
FORMULA	C27H37N5O7S3
MOLECULAR WEIGHT (Da)	639.8220
ACCURATE MASS (Da)	639.1855
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Verrucosispora
ORIGIN SPECIES	sp.
InChIKey	FAHSFXZEUSTLEQ-HSALFYBXSA-N
InChI	InChI=1S/C27H37N5O7S3/c1-31(19(14-41-5)26(37)32(2)20(15-42-6)27(38)39-3)22(34)12-28-24(35)18(13-40-4)30-25(36)23-21(33)11-16-9-7-8-10-17(16)29-23/h7-11,18-20,33H,12-15H2,1-6H3,(H,28,35)(H,30,36)/t18-,19+,20-/m1/s1
SMILES	CN([C@@H](CSC)C(=O)N(C)[C@H](CSC)C(=O)OC)C(=O)CNC(=O)[C@@H](CSC)NC(=O)C1=NC2=CC=CC=C2C=C1O

ORIGINAL ISOLATION REFERENCE

CITATION	Wyche, Thomas P.; Hou, Yanpeng; Braun, Doug; Cohen, Hannah C.; Xiong, May P.; Bugni, Tim S. First Natural Analogs of the Cytotoxic Thiodepsipeptide Thiocoraline A from a Marine Verrucosispora sp Journal of Organic Chemistry 2011 76 (16) 6542-6547.
DOI	10.1021/jo200661n	PMID	21736356

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Actinobacteria	LPSN	201174
Class	Actinobacteria	LPSN	-
Order	Micromonosporales	LPSN	85008
Family	Micromonosporaceae	LPSN	28056
Genus	Verrucosispora	LPSN	84593

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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