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Compounds

COMPOUND NPA031544

STRUCTURE

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PROPERTIES

NPAID	NPA031544
CLUSTER ID	819
NODE ID	711
NAME	Necroxime B
FORMULA	C33H44N4O10
MOLECULAR WEIGHT (Da)	656.7330
ACCURATE MASS (Da)	656.3057
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Burkholderia
ORIGIN SPECIES	sp. HKI-0404, isolate B8
InChIKey	AUAUQABOROTJFK-TUXWIUFQSA-N
InChI	InChI=1S/C33H44N4O10/c1-3-9-28(41)37-23(12-4-5-17-34)32(42)46-26-20-22(11-7-18-35-27(40)14-8-19-36-44-2)45-33(43)29-21(10-6-13-24(29)38)15-16-25(39)30-31(26)47-30/h6-8,10,13-16,18-19,22-23,25-26,30-31,38-39H,3-5,9,11-12,17,20,34H2,1-2H3,(H,35,40)(H,37,41)/t22-,23-,25-,26+,30-,31+/m0/s1
SMILES	CCCC(=O)N[C@@H](CCCCN)C(=O)O[C@@H]1C[C@H](CC=CNC(=O)C=CC=NOC)OC(=O)C2=C(C=C[C@H](O)[C@@H]3O[C@@H]31)C=CC=C2O

ORIGINAL ISOLATION REFERENCE

CITATION	Niehs, Sarah P; Dose, Benjamin; Richter, Sophie; Pidot, Sacha J; Dahse, Hans-Martin; Stinear, Timothy P; Hertweck, Christian Mining Symbionts of a Spider-Transmitted Fungus Illuminates Uncharted Biosynthetic Pathways to Cytotoxic Benzolactones. Angewandte Chemie International Edition 2020 59 (20) 7766-7771.
DOI	10.1002/anie.201916007	PMID	32040253

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Proteobacteria	LPSN	1224
Class	Betaproteobacteria	LPSN	28216
Order	Burkholderiales	LPSN	80840
Family	Burkholderiaceae	LPSN	119060
Genus	Burkholderia	LPSN	32008

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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