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Compounds

COMPOUND NPA024822

STRUCTURE

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PROPERTIES

NPAID	NPA024822
CLUSTER ID	7571
NODE ID	5180
NAME	(3R,5S)-5-(4-hydroxybenzyl)-3-methyl-3-((2E,4E,6E,8E,10E)-4,8,10-trimethyldodeca-2,4,6,8,10-pentaenoyl)pyrrolidine-2,4-dione
FORMULA	C27H33NO5
MOLECULAR WEIGHT (Da)	451.5630
ACCURATE MASS (Da)	451.2359
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Fusarium
ORIGIN SPECIES	heterosporum
InChIKey	QYOOOQHFZSDPSQ-WNZXBQPCSA-N
InChI	InChI=1S/C27H33NO5/c1-6-18(2)16-20(4)9-7-8-19(3)10-15-25(30)21(5)26(31)28-24(27(32)33)17-22-11-13-23(29)14-12-22/h6-16,21,24,29H,17H2,1-5H3,(H,28,31)(H,32,33)/b9-7+,15-10+,18-6+,19-8+,20-16+/t21?,24-/m1/s1
SMILES	C/C=C(\C)/C=C(\C)/C=C/C=C(\C)/C=C/C(=O)C(C)C(=O)N[C@H](CC1=CC=C(C=C1)O)C(=O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Kakule TB; Sardar D; Lin Z; Schmidt EW Two related pyrrolidinedione synthetase loci in Fusarium heterosporum ATCC 74349 produce divergent metabolites. ACS Chemical Biology 2013 8 (7) 1549-1557.
DOI	10.1021/cb400159f	PMID	23614392

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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