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Compounds

COMPOUND NPA029131

STRUCTURE

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PROPERTIES

NPAID	NPA029131
CLUSTER ID	3041
NODE ID	2329
NAME	Conglobatin D2
FORMULA	C25H32N2O6
MOLECULAR WEIGHT (Da)	456.5390
ACCURATE MASS (Da)	456.2260
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	conglobatus ATCC 31005
InChIKey	IVQVUKQQPXBKQJ-GLGNCFMISA-N
InChI	InChI=1S/C25H32N2O6/c1-17-7-4-5-10-24(28)32-22(11-20-13-26-15-30-20)18(2)8-6-9-19(3)25(29)33-23(17)12-21-14-27-16-31-21/h5,9-10,13-18,22-23H,4,6-8,11-12H2,1-3H3/b10-5+,19-9+/t17-,18-,22-,23-/m0/s1
SMILES	C/C1=C\CC[C@H](C)[C@H](CC2=CN=CO2)OC(=O)/C=C/CC[C@H](C)[C@H](CC2=CN=CO2)OC1=O

ORIGINAL ISOLATION REFERENCE

CITATION	Lacey, Heather J.; Booth, Thomas J.; Vuong, Daniel; Rutledge, Peter J.; Lacey, Ernest; Chooi, Yit-Heng; Piggott, Andrew M. Conglobatins B–E: cytotoxic analogues of the C2-symmetric macrodiolide conglobatin Journal of Antibiotics 2020 73 (11) 756-765.
DOI	10.1038/s41429-020-0332-3	PMID	32555501

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Actinobacteria	LPSN	201174
Class	Actinobacteria	LPSN	-
Order	Streptomycetales	LPSN	85011
Family	Streptomycetaceae	LPSN	2062
Genus	Streptomyces	LPSN	1883

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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