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Compounds

COMPOUND NPA031543

STRUCTURE

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PROPERTIES

NPAID	NPA031543
CLUSTER ID	819
NODE ID	711
NAME	Necroxime A
FORMULA	C33H44N4O11
MOLECULAR WEIGHT (Da)	672.7320
ACCURATE MASS (Da)	672.3007
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Burkholderia
ORIGIN SPECIES	sp. HKI-0404, isolate B8
InChIKey	DCGOFMMAYQGADN-RKCJKIKXSA-N
InChI	InChI=1S/C33H44N4O11/c1-20(38)18-28(42)37-23(10-3-4-15-34)32(43)47-26-19-22(9-6-16-35-27(41)12-7-17-36-45-2)46-33(44)29-21(8-5-11-24(29)39)13-14-25(40)30-31(26)48-30/h5-8,11-14,16-17,20,22-23,25-26,30-31,38-40H,3-4,9-10,15,18-19,34H2,1-2H3,(H,35,41)(H,37,42)/t20-,22+,23+,25+,26-,30+,31-/m1/s1
SMILES	CON=CC=CC(=O)NC=CC[C@H]1C[C@@H](OC(=O)[C@H](CCCCN)NC(=O)C[C@@H](C)O)[C@H]2O[C@H]2[C@@H](O)C=CC2=C(C(=O)O1)C(O)=CC=C2

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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