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Compounds

COMPOUND NPA001093

STRUCTURE

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PROPERTIES

NPAID	NPA001093
CLUSTER ID	16
NODE ID	16
NAME	Macrolactin R
FORMULA	C30H44O10
MOLECULAR WEIGHT (Da)	564.6720
ACCURATE MASS (Da)	564.2934
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Bacillus
ORIGIN SPECIES	sp. AH159-1
InChIKey	NDMBRILKNZCXKI-NGDJXNTDSA-N
InChI	InChI=1S/C30H44O10/c1-21-13-7-3-2-4-8-14-22(32)19-23(33)15-9-5-10-16-24(17-11-6-12-18-26(34)38-21)39-30-29(37)28(36)27(35)25(20-31)40-30/h2,4-6,8-12,14,16,18,21-25,27-33,35-37H,3,7,13,15,17,19-20H2,1H3/b4-2+,9-5+,11-6+,14-8+,16-10+,18-12-/t21-,22+,23+,24-,25-,27-,28+,29-,30-/m1/s1
SMILES	C[C@@H]1CCC/C=C/C=C/[C@@H](C[C@H](C/C=C/C=C/[C@H](C/C=C/C=C\C(=O)O1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Zheng, Chang-Ji; Lee, Sangku; Lee, Choong-Hwan; Kim, Won-Gon Macrolactins O-R, glycosylated 24-membered lactones from Bacillus sp. AH159-1 Journal of Natural Products 2007 70 (10) 1632-1635.
DOI	10.1021/np0701327	PMID	17887720

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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