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Compounds

COMPOUND NPA027175

STRUCTURE

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PROPERTIES

NPAID	NPA027175
CLUSTER ID	8223
NODE ID	5587
NAME	Cuniculene 6B
FORMULA	C32H52N2O7S
MOLECULAR WEIGHT (Da)	608.8420
ACCURATE MASS (Da)	608.3495
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Aquimarina
ORIGIN SPECIES	sp. Aq78
InChIKey	GHQBYAGYCOKTAX-GNDASISDSA-N
InChI	InChI=1S/C32H52N2O7S/c1-8-22(2)18-26(36)20-27(37)25(5)13-12-23(3)10-9-11-24(4)19-29(39)42-17-16-33-28(38)14-15-34-31(41)30(40)32(6,7)21-35/h9,11-13,25-27,30,35-37,40H,2-4,8,10,14-21H2,1,5-7H3,(H,33,38)(H,34,41)/b11-9+,13-12+
SMILES	C=C(/C=C/C(C)C(O)CC(O)CC(=C)CC)C/C=C/C(=C)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)CO

ORIGINAL ISOLATION REFERENCE

CITATION	Helfrich, Eric J. N.; Ueoka, Reiko; Dolev, Alon; Rust, Michael; Meoded, Roy A.; Bhushan, Agneya; Califano, Gianmaria; Costa, Rodrigo; Gugger, Muriel; Steinbeck, Christoph; Moreno, Pablo; Piel, Jörn Automated structure prediction of trans-acyltransferase polyketide synthase products Nature Chemical Biology 2019 15 (8) 813-821.
DOI	10.1038/s41589-019-0313-7	PMID	31308532

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Bacteroidetes	LPSN	976
Class	Flavobacteriia	LPSN	117743
Order	Flavobacteriales	LPSN	200644
Family	Flavobacteriaceae	LPSN	49546
Genus	Aquimarina	LPSN	290174

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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