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Compounds

COMPOUND NPA016001

STRUCTURE

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PROPERTIES

NPAID	NPA016001
CLUSTER ID	1716
NODE ID	693
NAME	Maculalactone H
FORMULA	C34H30O6
MOLECULAR WEIGHT (Da)	534.6080
ACCURATE MASS (Da)	534.2042
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Kyrtuthrix
ORIGIN SPECIES	maculans
InChIKey	NMHJQXMIRNYVEX-JEQGAVSCSA-N
InChI	InChI=1S/C34H30O6/c35-28-21-27(24-15-7-2-8-16-24)33(29(36)25-17-9-3-10-18-25)34(32(28,38)26-19-11-4-12-20-26)31(40-34,30(37)39-33)22-23-13-5-1-6-14-23/h1-20,27-29,35-36,38H,21-22H2/t27-,28+,29?,31-,32-,33+,34+/m1/s1
SMILES	C1[C@@H]([C@@]2([C@]3([C@](O3)(C(=O)O2)CC4=CC=CC=C4)[C@]([C@H]1O)(C5=CC=CC=C5)O)C(C6=CC=CC=C6)O)C7=CC=CC=C7

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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