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Compounds

COMPOUND NPA013853

STRUCTURE

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EXTERNAL LINKS

PROPERTIES

NPAID	NPA013853
CLUSTER ID	643
NODE ID	571
NAME	Equisetin
FORMULA	C22H31NO4
MOLECULAR WEIGHT (Da)	373.4930
ACCURATE MASS (Da)	373.2253
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Fusarium
ORIGIN SPECIES	equiseti
InChIKey	QNQBPPQLRODXET-AIMHRHHOSA-N
InChI	InChI=1S/C22H31NO4/c1-5-6-15-9-8-14-11-13(2)7-10-16(14)22(15,3)20(26)18-19(25)17(12-24)23(4)21(18)27/h5-6,8-9,13-17,24,26H,7,10-12H2,1-4H3/b6-5+,20-18+/t13-,14-,15-,16-,17+,22-/m1/s1
SMILES	C/C=C/[C@@H]1C=C[C@@H]2C[C@@H](CC[C@H]2[C@]1(C)/C(=C\3/C(=O)[C@@H](N(C3=O)C)CO)/O)C

ORIGINAL ISOLATION REFERENCE

CITATION	Phillips; Goodwin; Faiman; Cole; Lynn Characterization of the Fusarium toxin equisetin: The use of phenylboronates in structure assignment Journal of the American Chemical Society 1989 111 (21) 8223-8231.
DOI	10.1021/ja00203a025	PMID	-

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	Fusarium	MycoBank	5506

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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