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Compounds

COMPOUND NPA033499

STRUCTURE

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PROPERTIES

NPAID	NPA033499
CLUSTER ID	3829
NODE ID	2870
NAME	SEK90
FORMULA	C44H38O14
MOLECULAR WEIGHT (Da)	790.7740
ACCURATE MASS (Da)	790.2262
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Saccharothrix
ORIGIN SPECIES	esapanaensis
InChIKey	GDGNAEZVFSCFGX-UHFFFAOYSA-N
InChI	InChI=1S/C44H38O14/c1-4-7-28(39-33(51)18-26(57-43(39)55)14-22-8-5-10-29(47)37(22)41(53)35-20(2)12-24(45)16-31(35)49)40-34(52)19-27(58-44(40)56)15-23-9-6-11-30(48)38(23)42(54)36-21(3)13-25(46)17-32(36)50/h5-6,8-13,16-19,28,45-52H,4,7,14-15H2,1-3H3
SMILES	CCCC(C1=C(O)C=C(CC2=CC=CC(O)=C2C(=O)C2=C(O)C=C(O)C=C2C)OC1=O)C1=C(O)C=C(CC2=CC=CC(O)=C2C(=O)C2=C(O)C=C(O)C=C2C)OC1=O

ORIGINAL ISOLATION REFERENCE

CITATION	Gummerlich, Nils; Rebets, Yuriy; Paulus, Constanze; Zapp, Josef; Luzhetskyy, Andriy Targeted genome mining—from compound discovery to biosynthetic pathway elucidation Microorganisms 2020 8 (12) 1-17.
DOI	10.3390/microorganisms8122034	PMID	33352664

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Actinobacteria	LPSN	201174
Class	Actinobacteria	LPSN	-
Order	Pseudonocardiales	LPSN	85010
Family	Pseudonocardiaceae	LPSN	2070
Genus	Saccharothrix	LPSN	2071

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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