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Compounds

COMPOUND NPA000860

STRUCTURE

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PROPERTIES

NPAID	NPA000860
CLUSTER ID	578
NODE ID	515
NAME	(-)-discoipyrrole A
FORMULA	C27H23NO5
MOLECULAR WEIGHT (Da)	441.4830
ACCURATE MASS (Da)	441.1576
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Bacillus
ORIGIN SPECIES	hunanensis
InChIKey	AUCVFNBQPWKHPK-HHHXNRCGSA-N
InChI	InChI=1S/C27H23NO5/c1-16(2)15-27-25(31)23(17-7-11-19(29)12-8-17)24(18-9-13-20(30)14-10-18)28(27)22-6-4-3-5-21(22)26(32)33-27/h3-14,16,29-30H,15H2,1-2H3/t27-/m1/s1
SMILES	CC(C)C[C@@]12C(=O)C(=C(N1C3=CC=CC=C3C(=O)O2)C4=CC=C(C=C4)O)C5=CC=C(C=C5)O

ORIGINAL ISOLATION REFERENCE

CITATION	Hu, Youcai; Potts, Malia B.; Colosimo, Dominic; Herrera-Herrera, Mireya L.; Legako, Aaron G.; Yousufuddin, Muhammed; White, Michael A.; MacMillan, John B. Discoipyrroles A-D: Isolation, structure determination, and synthesis of potent migration inhibitors from Bacillus hunanensis Journal of the American Chemical Society 2013 135 (36) 13387-13392.
DOI	10.1021/ja403412y	PMID	23984625

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Firmicutes	LPSN	1239
Class	Bacilli	LPSN	91061
Order	Bacillales	LPSN	1385
Family	Bacillaceae	LPSN	186817
Genus	Bacillus	LPSN	1386

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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