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Compounds

COMPOUND NPA010730

STRUCTURE

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PROPERTIES

NPAID	NPA010730
CLUSTER ID	4248
NODE ID	3140
NAME	Paspaclavine
FORMULA	C18H22N2O
MOLECULAR WEIGHT (Da)	282.3870
ACCURATE MASS (Da)	282.1732
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Claviceps
ORIGIN SPECIES	paspali
InChIKey	KBOWIUHISHXEEI-PTFKWJCZSA-N
InChI	InChI=1S/C18H22N2O/c1-10(2)18-17-13-6-5-7-14-16(13)12(9-19-14)8-15(17)20(4)11(3)21-18/h5-7,9,11,15,17-19H,1,8H2,2-4H3/t11-,15-,17-,18+/m1/s1
SMILES	C[C@@H]1N([C@@H]2CC3=CNC4=CC=CC(=C34)[C@H]2[C@@H](O1)C(=C)C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Tscherter, H; Hauth, H Three new ergot alkaloids from saprophytic culture of Claviceps paspali Stevens et Hall Helvetica Chimica Acta 1974 57 (1) 113-121.
DOI	10.1002/hlca.19740570111	PMID	4219404

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	Clavicipitaceae	MycoBank	34397
Genus	Claviceps	MycoBank	5110

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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