Natural Products Atlas | Compounds

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Compounds

ID	Spectrum Quality	Annotated Name
CCMSLIB00012052585	Gold	3
CCMSLIB00005767376	Gold	3
CCMSLIB00005767443	Gold	3
CCMSLIB00005767970	Gold	3
CCMSLIB00005768328	Gold	3
CCMSLIB00005768833	Gold	3
CCMSLIB00005768861	Gold	3
CCMSLIB00005769197	Gold	3
CCMSLIB00005769272	Gold	3
CCMSLIB00005769298	Gold	3
CCMSLIB00005769347	Gold	3
CCMSLIB00005769394	Gold	3
CCMSLIB00005769434	Gold	3
CCMSLIB00005769479	Gold	3
CCMSLIB00005769697	Gold	3
CCMSLIB00005769736	Gold	3
CCMSLIB00005769868	Gold	3
CCMSLIB00005769908	Gold	3
CCMSLIB00005770241	Gold	3
CCMSLIB00005770347	Gold	3
CCMSLIB00005770448	Gold	3
CCMSLIB00005770486	Gold	3
CCMSLIB00005770496	Gold	3
CCMSLIB00005770646	Gold	3
CCMSLIB00005770747	Gold	3
CCMSLIB00005770757	Gold	3
CCMSLIB00005770783	Gold	3
CCMSLIB00005770790	Gold	3
CCMSLIB00005770889	Gold	3
CCMSLIB00005770936	Gold	3
CCMSLIB00005767294	Gold	3
CCMSLIB00005775667	Gold	3
CCMSLIB00005772597	Gold	3
CCMSLIB00005770549	Gold	3
CCMSLIB00005769759	Gold	3
CCMSLIB00005767733	Gold	3
CCMSLIB00005769155	Gold	3
CCMSLIB00005770418	Gold	3
CCMSLIB00005768210	Gold	3
CCMSLIB00005769447	Gold	3
CCMSLIB00005767554	Gold	3
CCMSLIB00005769020	Gold	3
CCMSLIB00005768408	Gold	3
CCMSLIB00005767692	Gold	3
CCMSLIB00005768224	Gold	3
CCMSLIB00005768479	Gold	3
CCMSLIB00005770236	Gold	3
CCMSLIB00005769494	Gold	3
CCMSLIB00005769866	Gold	3
CCMSLIB00005767671	Gold	3
CCMSLIB00005768238	Gold	3
CCMSLIB00005770320	Gold	3
CCMSLIB00005767685	Gold	3

COMPOUND NPA031321

STRUCTURE

Image structure

EXPORT OPTIONS	PNG JSON SDF
PROJECT MOLECULE TO GLOBAL VIEW	See Global

EXTERNAL LINKS

PROPERTIES

NPAID	NPA031321
CLUSTER ID	9118
NODE ID	6127
NAME	Isophorone
FORMULA	C9H14O
MOLECULAR WEIGHT (Da)	138.2100
ACCURATE MASS (Da)	138.1045
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Oscillatoria
ORIGIN SPECIES	perornata
InChIKey	HJOVHMDZYOCNQW-UHFFFAOYSA-N
InChI	InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3
SMILES	CC1=CC(=O)CC(C)(C)C1

ORIGINAL ISOLATION REFERENCE

CITATION	Mario R. Tellez, Kevin K. Schrader, and Mozaina Kobaisy Volatile components of the cyanobacterium Oscillatoria perornata (Skuja). Journal of Agricultural and Food Chemistry 2001 49 (12) 5989-5992.
DOI	10.1021/jf010722p	PMID	11743797

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Cyanobacteria	LPSN	1117
Class	Cyanophyceae	LPSN	-
Order	Oscillatoriales	LPSN	1150
Family	Oscillatoriaceae	LPSN	1892254
Genus	Oscillatoria	LPSN	1158

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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