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Compounds

COMPOUND NPA013985

STRUCTURE

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PROPERTIES

NPAID	NPA013985
CLUSTER ID	241
NODE ID	221
NAME	Brassicicene C
FORMULA	C21H32O4
MOLECULAR WEIGHT (Da)	348.4830
ACCURATE MASS (Da)	348.2301
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Alternaria
ORIGIN SPECIES	brassicicola
InChIKey	JYZGDIADQSQUAG-DKLZGWCZSA-N
InChI	InChI=1S/C21H32O4/c1-11(2)19-16-9-18(22)12(3)14-6-7-21(24,10-25-5)17(14)8-15(16)13(4)20(19)23/h8,11-15,18,22,24H,6-7,9-10H2,1-5H3/b17-8+/t12-,13+,14+,15+,18+,21+/m1/s1
SMILES	C[C@@H]1[C@@H]\2CC[C@@](/C2=C/[C@H]3[C@@H](C(=O)C(=C3C[C@@H]1O)C(C)C)C)(COC)O

ORIGINAL ISOLATION REFERENCE

CITATION	MacKinnon, Shawna L.; Keifer, Paul; Ayer, William A. Components from the phytotoxic extract of Alternaria brassicicola, a black spot pathogen of canola Phytochemistry 1999 51 (2) 215-221.
DOI	10.1016/s0031-9422(98)00732-8	PMID	-

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
Family	Pleosporaceae	MycoBank	28556
Genus	Alternaria	MycoBank	5598

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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