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Compounds

COMPOUND NPA004286

STRUCTURE

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PROPERTIES

NPAID	NPA004286
CLUSTER ID	799
NODE ID	693
NAME	Maculalactone E
FORMULA	C34H30O4
MOLECULAR WEIGHT (Da)	502.6100
ACCURATE MASS (Da)	502.2144
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Kyrtuthrix
ORIGIN SPECIES	maculans
InChIKey	NQTOOGBFGKMSCH-GBWWDHKLSA-N
InChI	InChI=1S/C34H30O4/c35-30-22-29(26-17-9-3-10-18-26)33(23-25-15-7-2-8-16-25)31(34(30,37)27-19-11-4-12-20-27)28(32(36)38-33)21-24-13-5-1-6-14-24/h1-20,29-30,35,37H,21-23H2/t29-,30+,33-,34-/m1/s1
SMILES	C1[C@@H]([C@@]2(C(=C(C(=O)O2)CC3=CC=CC=C3)[C@]([C@H]1O)(C4=CC=CC=C4)O)CC5=CC=CC=C5)C6=CC=CC=C6

ORIGINAL ISOLATION REFERENCE

CITATION	Lee, Sung-Chi; Brown, Geoffrey D. Tribenzylbutyrolactones and dibenzyldiphenyl-4,5,6,7- tetrahydrobenzofuranones from Kyrtuthrix maculans Journal of Natural Products 1998 61 (1) 29-33.
DOI	10.1021/np970322p	PMID	9548830

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Cyanobacteria	LPSN	1117
Class	Cyanophyceae	LPSN	-
Order	Nostocales	LPSN	1161
Family	Scytonemataceae	LPSN	1182
Genus	Kyrtuthrix	LPSN	1906669

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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