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Compounds

COMPOUND NPA022479

STRUCTURE

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PROPERTIES

NPAID	NPA022479
CLUSTER ID	2632
NODE ID	2047
NAME	Lyngbyabellin P
FORMULA	C36H53Cl2N3O12S2
MOLECULAR WEIGHT (Da)	854.8690
ACCURATE MASS (Da)	853.2448
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Okeania
ORIGIN SPECIES	sp.
InChIKey	OBWCQUXEFAKVED-CBHXVBAKSA-N
InChI	InChI=1S/C36H53Cl2N3O12S2/c1-9-11-27(44)39-21(14-19(2)3)24(42)15-28(45)51-16-25(43)30-40-23(18-54-30)34(48)52-26(12-10-13-36(7,37)38)20(4)32(46)53-29(35(5,6)49)31-41-22(17-55-31)33(47)50-8/h17-21,24-26,29,42-43,49H,9-16H2,1-8H3,(H,39,44)/t20-,21-,24+,25+,26-,29+/m0/s1
SMILES	CCCC(=O)N[C@@H](CC(C)C)[C@@H](CC(=O)OC[C@H](C1=NC(=CS1)C(=O)O[C@@H](CCCC(C)(Cl)Cl)[C@H](C)C(=O)O[C@H](C2=NC(=CS2)C(=O)OC)C(C)(C)O)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Petitbois, Julie G.; Casalme, Loida O.; Lopez, Julius Adam V.; Alarif, Walied M.; Abdel-Lateff, Ahmed; Al-Lihaibi, Sultan S.; Yoshimura, Erina; Nogata, Yasuyuki; Umezawa, Taiki; Matsuda, Fuyuhiko; Okino, Tatsufumi Serinolamides and Lyngbyabellins from an Okeania sp. Cyanobacterium Collected from the Red Sea Journal of Natural Products 2017 80 (10) 2708-2715.
DOI	10.1021/acs.jnatprod.7b00449	PMID	29019684

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Cyanobacteria	LPSN	1117
Class	Cyanophyceae	LPSN	-
Order	Oscillatoriales	LPSN	1150
Family	Oscillatoriaceae	LPSN	1892254
Genus	Okeania	LPSN	1458928

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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