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Compounds

COMPOUND NPA003983

STRUCTURE

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PROPERTIES

NPAID	NPA003983
CLUSTER ID	2124
NODE ID	1696
NAME	Lagunapyrone B
FORMULA	C34H52O5
MOLECULAR WEIGHT (Da)	540.7850
ACCURATE MASS (Da)	540.3815
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Actinomyces
ORIGIN SPECIES	sp.
InChIKey	OTNYCNDIGKWKTO-KOJVWQQKSA-N
InChI	InChI=1S/C34H52O5/c1-10-13-29-17-19-31(39-34(29)38)28(9)33(37)26(7)15-12-14-22(3)20-24(5)21-23(4)16-18-30(35)27(8)32(36)25(6)11-2/h11,14-17,19,21,27-28,30,32-33,35-37H,10,12-13,18,20H2,1-9H3/b22-14+,23-16+,24-21+,25-11+,26-15+/t27-,28+,30-,32-,33-/m1/s1
SMILES	CCCC1=CC=C(OC1=O)[C@H](C)[C@@H](/C(=C/C/C=C(\C)/C/C(=C/C(=C/C[C@H]([C@@H](C)[C@@H](/C(=C/C)/C)O)O)/C)/C)/C)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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