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Compounds

COMPOUND NPA003199

STRUCTURE

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PROPERTIES

NPAID	NPA003199
CLUSTER ID	643
NODE ID	571
NAME	Phomasetin
FORMULA	C25H35NO4
MOLECULAR WEIGHT (Da)	413.5580
ACCURATE MASS (Da)	413.2566
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Phoma
ORIGIN SPECIES	sp.
InChIKey	GQYNYOOJEMDNNZ-KXBMYEHISA-N
InChI	InChI=1S/C25H35NO4/c1-6-7-8-9-18-16(3)13-17-12-15(2)10-11-19(17)25(18,4)23(29)21-22(28)20(14-27)26(5)24(21)30/h6-9,13,15,17-20,27,29H,10-12,14H2,1-5H3/b7-6+,9-8+,23-21+/t15-,17+,18-,19-,20+,25-/m0/s1
SMILES	C/C=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)C

ORIGINAL ISOLATION REFERENCE

CITATION	Singh, Sheo B.; Zink, Deborah L.; Goetz, Michael A.; Dombrowski, Anne W.; Polishook, Jon D.; Hazuda, Daria J. Equisetin and a novel opposite stereochemical homolog phomasetin, two fungal metabolites as inhibitors of HIV-1 integrase Tetrahedron Letters 1998 39 (16) 2243-2246.
DOI	10.1016/s0040-4039(98)00269-x	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
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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