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Compounds

COMPOUND NPA016727

STRUCTURE

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PROPERTIES

NPAID	NPA016727
CLUSTER ID	5152
NODE ID	3690
NAME	ethyl 3-methylorsellinate
FORMULA	C11H14O4
MOLECULAR WEIGHT (Da)	210.2290
ACCURATE MASS (Da)	210.0892
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Erwinia
ORIGIN SPECIES	sp.
InChIKey	VJLLNFDLMWPNBN-UHFFFAOYSA-N
InChI	InChI=1S/C11H14O4/c1-4-15-11(14)9-6(2)5-8(12)7(3)10(9)13/h5,12-13H,4H2,1-3H3
SMILES	CCOC(=O)C1=C(C(=C(C=C1C)O)C)O

ORIGINAL ISOLATION REFERENCE

CITATION	Kawahara, N; Nozawa, K; Nakajima, S; Udagawa, S; Kawai, K Studies on fungal products. XVI. New metabolites related to 3-methylorsellinate from Aspergillus silvaticus Chemical and Pharmaceutical Bulletin 1988 36 (1) 398.
DOI	10.1248/cpb.36.398	PMID	3378300

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Proteobacteria	LPSN	1224
Class	Gammaproteobacteria	LPSN	1236
Order	Enterobacterales	LPSN	91347
Family	Erwiniaceae	LPSN	1903409
Genus	Erwinia	LPSN	551

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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