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Compounds

COMPOUND NPA018246

STRUCTURE

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PROPERTIES

NPAID	NPA018246
CLUSTER ID	6021
NODE ID	188
NAME	Ilicicolinal
FORMULA	C23H31ClO5
MOLECULAR WEIGHT (Da)	422.9490
ACCURATE MASS (Da)	422.1860
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Neonectria
ORIGIN SPECIES	discophora SNB-CN63
InChIKey	LGWHIUKSRDCMLJ-GXDHUFHOSA-N
InChI	InChI=1S/C23H31ClO5/c1-13(2)8-6-9-14(3)10-7-11-23(5,28)17-12-16-20(25)18(22(26)27)15(4)19(24)21(16)29-17/h8,10,17,25,28H,6-7,9,11-12H2,1-5H3,(H,26,27)/b14-10+
SMILES	CC1=C(C(=C2CC(OC2=C1Cl)C(C)(CC/C=C(\C)/CCC=C(C)C)O)O)C(=O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Nirma, Charlotte; Eparvier, Véronique; Stien, Didier Antibacterial ilicicolinic acids C and D and ilicicolinal from Neonectria discophora SNB-CN63 isolated from a termite nest Journal of Natural Products 2015 78 (1) 159-162.
DOI	10.1021/np500080m	PMID	25478997

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Sordariomycetes	MycoBank	147550
Order	Hypocreales	MycoBank	5125
Family	Nectriaceae	MycoBank	110618
Genus	Neonectria	MycoBank	140106

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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