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Compounds

COMPOUND NPA007961

STRUCTURE

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PROPERTIES

NPAID	NPA007961
CLUSTER ID	814
NODE ID	707
NAME	Hypogeamicin A
FORMULA	C38H44N2O14S
MOLECULAR WEIGHT (Da)	784.8370
ACCURATE MASS (Da)	784.2513
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Nonomuraea
ORIGIN SPECIES	specus
InChIKey	BHFIVAGXJHEBFL-IKLOEFKXSA-N
InChI	InChI=1S/C38H44N2O14S/c1-5-7-25-37(49)33(47)29-21(9-17(51-3)11-23(29)41)31(45)35(37,15-19(53-25)13-27(39)43)55-36-16-20(14-28(40)44)54-26(8-6-2)38(36,50)34(48)30-22(32(36)46)10-18(52-4)12-24(30)42/h9-12,19-20,25-26,41-42,49-50H,5-8,13-16H2,1-4H3,(H2,39,43)(H2,40,44)/t19-,20-,25-,26-,35+,36+,37+,38+/m1/s1
SMILES	CCC[C@@H]1[C@@]2(C(=O)C3=C(C=C(C=C3C(=O)[C@]2(C[C@H](O1)CC(=O)N)S[C@]45C[C@H](O[C@@H]([C@@]4(C(=O)C6=C(C=C(C=C6C5=O)OC)O)O)CCC)CC(=O)N)OC)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Derewacz, Dagmara K.; McNees, C. Ruth; Scalmani, Giovanni; Covington, Cody L.; Shanmugam, Ganesh; Marnett, Lawrence J.; Polavarapu, Prasad L.; Bachmann, Brian O. Structure and stereochemical determination of hypogeamicins from a cave-derived actinomycete Journal of Natural Products 2014 77 (8) 1759-1763.
DOI	10.1021/np400742p	PMID	25046128

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Actinobacteria	LPSN	201174
Class	Actinobacteria	LPSN	-
Order	Streptosporangiales	LPSN	85012
Family	Streptosporangiaceae	LPSN	2004
Genus	Nonomuraea	LPSN	83681

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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