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Compounds

COMPOUND NPA011921

STRUCTURE

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PROPERTIES

NPAID	NPA011921
CLUSTER ID	4544
NODE ID	3325
NAME	Elansolid A3
FORMULA	C37H48O6
MOLECULAR WEIGHT (Da)	588.7850
ACCURATE MASS (Da)	588.3451
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Chitinophaga
ORIGIN SPECIES	sancti
InChIKey	VFIKYXAGOXCBHD-SFRZROFGSA-N
InChI	InChI=1S/C37H48O6/c1-24(14-20-34(41)42)13-19-33(40)26(3)32(39)12-10-8-7-9-11-29-25(2)21-31-35(36(4,5)23-37(31,6)43)30(29)22-27-15-17-28(38)18-16-27/h7-18,20-22,26,29-33,35,39-40,43H,19,23H2,1-6H3,(H,41,42)/b8-7+,11-9-,12-10-,20-14+,24-13+/t26-,29-,30-,31+,32+,33+,35+,37+/m0/s1
SMILES	CC1=C[C@@H]2[C@@H]([C@H]([C@H]1/C=C\C=C\C=C/[C@H]([C@H](C)[C@@H](C/C=C(\C)/C=C/C(=O)O)O)O)C=C3C=CC(=O)C=C3)C(C[C@@]2(C)O)(C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Jansen, Rolf; Gerth, Klaus; Steinmetz, Heinrich; Reinecke, Silke; Kessler, Wolfgang; Kirschning, Andreas; Müller, Rolf Elansolid A3, a Unique p-Quinone Methide Antibiotic from Chitinophaga sancti Chemistry - A European Journal 2011 17 (28) 7739-7744.
DOI	10.1002/chem.201100457	PMID	21626585

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Bacteroidetes	LPSN	976
Class	Chitinophagia	LPSN	1853228
Order	Chitinophagales	LPSN	1853229
Family	Chitinophagaceae	LPSN	563835
Genus	Chitinophaga	LPSN	79328

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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