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Compounds

COMPOUND NPA021012

STRUCTURE

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PROPERTIES

NPAID	NPA021012
CLUSTER ID	6588
NODE ID	4566
NAME	Dotriacolide
FORMULA	C40H76O18S4
MOLECULAR WEIGHT (Da)	973.2980
ACCURATE MASS (Da)	972.3914
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Micromonospora
ORIGIN SPECIES	echinospora MG299-fF35
InChIKey	YIIKXRWDWWBASM-GVSLLQDTSA-N
InChI	InChI=1S/C40H76O18S4/c1-35(55-59(42,43)44)27-21-15-14-19-22-28-36-33-37(56-60(45,46)47)29-23-16-11-7-5-8-12-18-25-31-39(58-62(51,52)53)34-38(57-61(48,49)50)30-24-17-10-6-3-2-4-9-13-20-26-32-40(41)54-36/h26,32,35-39H,2-25,27-31,33-34H2,1H3,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)/b32-26+/t35-,36+,37-,38+,39+/m0/s1
SMILES	C[C@@H](CCCCCCC[C@@H]1C[C@H](CCCCCCCCCCC[C@H](C[C@@H](CCCCCCCCCCC/C=C/C(=O)O1)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Ikeda Y; Kando S; Sawa T; Tsuchiya M; Ikeda D; Hamada M; Takeuchi T; Umezawa H DOTRIACOLIDE, A NEW β-LACTAMASE INHIBITOR Journal of Antibiotics 1981 34 (12) 1628-1630.
DOI	10.7164/antibiotics.34.1628	PMID	6977522

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	Micromonospora	LPSN	1873

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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