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Compounds

COMPOUND NPA027174

STRUCTURE

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PROPERTIES

NPAID	NPA027174
CLUSTER ID	8222
NODE ID	5586
NAME	Cuniculene 6A
FORMULA	C21H32O4
MOLECULAR WEIGHT (Da)	348.4830
ACCURATE MASS (Da)	348.2301
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Aquimarina
ORIGIN SPECIES	sp. Aq78
InChIKey	RHGLQKLCZHATTR-RJECPTDASA-N
InChI	InChI=1S/C21H32O4/c1-6-15(2)12-19(22)14-20(23)18(5)11-10-16(3)8-7-9-17(4)13-21(24)25/h7,9-11,18-20,22-23H,2-4,6,8,12-14H2,1,5H3,(H,24,25)/b9-7+,11-10+
SMILES	C=C(/C=C/C(C)C(O)CC(O)CC(=C)CC)C/C=C/C(=C)CC(=O)O

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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