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Compounds

COMPOUND NPA010365

STRUCTURE

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PROPERTIES

NPAID	NPA010365
CLUSTER ID	4156
NODE ID	3085
NAME	2,6-Dihydroxy-4,5-dimethyl-3-(3-oxo-1-butenyl) benzoic acid
FORMULA	C13H14O5
MOLECULAR WEIGHT (Da)	250.2500
ACCURATE MASS (Da)	250.0841
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Unknown-fungus
ORIGIN SPECIES	sp. SCSGAF0086
InChIKey	KOKRQMCLMWELOX-SNAWJCMRSA-N
InChI	InChI=1S/C13H14O5/c1-6(14)4-5-9-7(2)8(3)11(15)10(12(9)16)13(17)18/h4-5,15-16H,1-3H3,(H,17,18)/b5-4+
SMILES	CC1=C(C(=C(C(=C1C)O)C(=O)O)O)/C=C/C(=O)C

ORIGINAL ISOLATION REFERENCE

CITATION	Nong, Xu-Hua; Zheng, Zhi-Hui; Zhang, Xiao-Yong; Lu, Xin-Hua; Qi, Shu-Hua Polyketides from a Marine-Derived Fungus Xylariaceae sp Marine Drugs 2013 11 (5) 1718-1727.
DOI	10.3390/md11051718	PMID	23697953

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Genus	Unknown-fungus	MycoBank	-

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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