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Compounds

COMPOUND NPA009238

STRUCTURE

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PROPERTIES

NPAID	NPA009238
CLUSTER ID	913
NODE ID	790
NAME	Thiochondrilline C
FORMULA	C25H31N5O7S3
MOLECULAR WEIGHT (Da)	609.7520
ACCURATE MASS (Da)	609.1386
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Verrucosispora
ORIGIN SPECIES	sp.
InChIKey	SSNMADOPSZXXTG-SQNIBIBYSA-N
InChI	InChI=1S/C25H31N5O7S3/c1-29-17(24(35)30(2)18(12-38-4)25(36)37-3)13-40-39-11-16(22(33)26-10-20(29)32)28-23(34)21-19(31)9-14-7-5-6-8-15(14)27-21/h5-9,16-18,31H,10-13H2,1-4H3,(H,26,33)(H,28,34)/t16-,17+,18+/m1/s1
SMILES	CN1[C@@H](CSSC[C@H](C(=O)NCC1=O)NC(=O)C2=NC3=CC=CC=C3C=C2O)C(=O)N(C)[C@@H](CSC)C(=O)OC

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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