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Compounds

COMPOUND NPA024412

STRUCTURE

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PROPERTIES

NPAID	NPA024412
CLUSTER ID	7464
NODE ID	5103
NAME	Lacunalide A
FORMULA	C54H98O14
MOLECULAR WEIGHT (Da)	971.3640
ACCURATE MASS (Da)	970.6957
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Gynuella
ORIGIN SPECIES	sunshinyii
InChIKey	BBYNTJLPUWNJRX-KZAICDIGSA-N
InChI	InChI=1S/C54H98O14/c1-37-26-29-45(59)32-46(60)33-47(61)34-48(62)35-49(63)36-51(65)41(5)54(67)38(2)28-30-44(58)23-17-22-43(57)21-16-20-42(56)19-13-9-7-6-8-10-15-25-52(68-53(66)31-27-37)40(4)50(64)24-14-11-12-18-39(3)55/h10,15,26-28,31,39-52,54-65,67H,6-9,11-14,16-25,29-30,32-36H2,1-5H3/t39-,40+,41-,42-,43-,44-,45+,46-,47+,48-,49+,50-,51-,52+,54-/m1/s1
SMILES	C[C@@H]1[C@@H](C[C@H](C[C@@H](C[C@H](C[C@@H](C[C@H](CC=C(C=CC(=O)O[C@@H](CC=CCCCCCC[C@H](CCC[C@H](CCC[C@H](CC=C([C@H]1O)C)O)O)O)[C@@H](C)[C@@H](CCCCC[C@@H](C)O)O)C)O)O)O)O)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Ueoka, Reiko; Bhushan, Agneya; Probst, Silke I.; Bray, Walter M.; Lokey, R. Scott; Linington, Roger G.; Piel, Jörn Genome-Based Identification of a Plant-Associated Marine Bacterium as a Rich Natural Product Source Angewandte Chemie International Edition 2018 57 (44) 14519-14523.
DOI	10.1002/anie.201805673	PMID	30025185

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Proteobacteria	LPSN	1224
Class	Gammaproteobacteria	LPSN	1236
Order	Oceanospirillales	LPSN	135619
Family	Saccharospirillaceae	LPSN	255527
Genus	Gynuella	LPSN	1445504

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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