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Compounds

COMPOUND NPA013253

STRUCTURE

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PROPERTIES

NPAID	NPA013253
CLUSTER ID	246
NODE ID	226
NAME	Acrostalic acid
FORMULA	C16H24O4
MOLECULAR WEIGHT (Da)	280.3640
ACCURATE MASS (Da)	280.1675
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Mycobacterium
ORIGIN SPECIES	tuberculosis
InChIKey	PWMWTNKJRHUMOB-OJDYBEQGSA-N
InChI	InChI=1S/C16H24O4/c1-10-5-6-12-15(2,11(10)9-13(17)18)7-4-8-16(12,3)14(19)20/h11-12H,1,4-9H2,2-3H3,(H,17,18)(H,19,20)/t11-,12+,15+,16-/m0/s1
SMILES	C[C@]12CCC[C@]([C@@H]1CCC(=C)[C@@H]2CC(=O)O)(C)C(=O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Sato, Michio; Kakisawa, Hiroshi Structures of three new C 16 terpenoids from an Acrostalagmus fungus Journal of the Chemical Society, Perkin Transactions 1 1976 (22) 2407-2413.
DOI	10.1039/p19760002407	PMID	-

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Actinobacteria	LPSN	201174
Class	Actinobacteria	LPSN	-
Order	Corynebacteriales	LPSN	85007
Family	Mycobacteriaceae	LPSN	1762
Genus	Mycobacterium	LPSN	1763

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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