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Compounds

COMPOUND NPA014501

STRUCTURE

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PROPERTIES

NPAID	NPA014501
CLUSTER ID	5166
NODE ID	3702
NAME	Chenopodolin
FORMULA	C24H30O8
MOLECULAR WEIGHT (Da)	446.4960
ACCURATE MASS (Da)	446.1941
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Phoma
ORIGIN SPECIES	chenopodicola
InChIKey	LIOQTLKMMDOYDZ-RHMXXYPNSA-N
InChI	InChI=1S/C24H30O8/c1-7-22(4)10-13-8-15(27)18-23(5,14(13)9-16(22)30-11(2)25)20(31-12(3)26)17-19(28)24(18,6)21(29)32-17/h7-8,14,16-20,28H,1,9-10H2,2-6H3/t14-,16+,17+,18+,19-,20-,22-,23+,24+/m1/s1
SMILES	CC(=O)O[C@H]1C[C@@H]2C(=CC(=O)[C@H]3[C@]2([C@@H]([C@@H]4[C@H]([C@]3(C(=O)O4)C)O)OC(=O)C)C)C[C@@]1(C)C=C

ORIGINAL ISOLATION REFERENCE

CITATION	Cimmino, Alessio; Andolfi, Anna; Zonno, Maria C.; Avolio, Fabiana; Santini, Antonello; Tuzi, Angela; Berestetskyi, Alexander; Vurro, Maurizio; Evidente, Antonio Chenopodolin: A phytotoxic unrearranged ent -pimaradiene diterpene produced by phoma chenopodicola, a fungal pathogen for chenopodium album biocontrol Journal of Natural Products 2013 76 (7) 1291-1297.
DOI	10.1021/np400218z	PMID	23786488

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Dothideomycetes	MycoBank	147541
Order	Pleosporales	MycoBank	92860
Genus	Phoma	MycoBank	37463

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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