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Compounds

COMPOUND NPA013521

STRUCTURE

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PROPERTIES

NPAID	NPA013521
CLUSTER ID	4938
NODE ID	3547
NAME	Kalihinol J
FORMULA	C22H35ClN2O3S
MOLECULAR WEIGHT (Da)	443.0530
ACCURATE MASS (Da)	442.2057
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Bacillus
ORIGIN SPECIES	sp. SNA-60-367
InChIKey	JJCHVOBKBZMVBH-JJAPNAJXSA-N
InChI	InChI=1S/C22H35ClN2O3S/c1-19(2)16(23)8-11-22(5,28-19)15-6-9-20(3,25-13-29)14-7-10-21(4,27)18(17(14)15)24-12-26/h12,14-18,27H,6-11H2,1-5H3,(H,24,26)/t14-,15-,16-,17-,18+,20+,21+,22+/m0/s1
SMILES	C[C@]1(CC[C@@H]([C@@H]2[C@@H]1CC[C@@]([C@@H]2NC=O)(C)O)[C@]3(CC[C@@H](C(O3)(C)C)Cl)C)N=C=S

ORIGINAL ISOLATION REFERENCE

CITATION	Bugni, Tim S.; Singh, Maya P.; Chen, Lei; Arias, Daniel A.; Harper, Mary Kay; Greenstein, Michael; Maiese, William M.; Concepcion, Gisela P.; Mangalindan, Gina C.; Ireland, Chris M. Kalihinols from two Acanthella cavernosa sponges: Inhibitors of bacterial folate biosynthesis Tetrahedron 2004 60 (33) 6981-6988.
DOI	10.1016/j.tet.2003.08.082	PMID	-

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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