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Compounds

COMPOUND NPA019357

STRUCTURE

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PROPERTIES

NPAID	NPA019357
CLUSTER ID	2124
NODE ID	1696
NAME	Lagunapyrone A
FORMULA	C32H48O5
MOLECULAR WEIGHT (Da)	512.7310
ACCURATE MASS (Da)	512.3502
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Actinomyces
ORIGIN SPECIES	sp.
InChIKey	GIMZZVKKCVKWLL-JOKYFBJLSA-N
InChI	InChI=1S/C32H48O5/c1-10-23(5)30(34)26(8)28(33)16-14-21(3)19-22(4)18-20(2)12-11-13-24(6)31(35)27(9)29-17-15-25(7)32(36)37-29/h10,12-15,17,19,26-28,30-31,33-35H,11,16,18H2,1-9H3/b20-12+,21-14+,22-19+,23-10+,24-13+/t26-,27+,28-,30-,31-/m1/s1
SMILES	C/C=C(\C)/[C@H]([C@H](C)[C@@H](C/C=C(\C)/C=C(\C)/C/C(=C/C/C=C(\C)/[C@H]([C@@H](C)C1=CC=C(C(=O)O1)C)O)/C)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Lindel, Thomas; Jensen, Paul R.; Fenical, William Lagunapyrones A-C: Cytotoxic acetogenins of a new skeletal class from a marine sediment bacterium Tetrahedron Letters 1996 37 (9) 1327-1330.
DOI	10.1016/0040-4039(96)00014-7	PMID	-

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Actinobacteria	LPSN	201174
Class	Actinobacteria	LPSN	-
Order	Actinomycetales	LPSN	2037
Family	Actinomycetaceae	LPSN	2049
Genus	Actinomyces	LPSN	1654

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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