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Compounds

ID	Spectrum Quality	Annotated Name
CCMSLIB00006678011	Gold	3

COMPOUND NPA027280

STRUCTURE

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PROPERTIES

NPAID	NPA027280
CLUSTER ID	8246
NODE ID	5601
NAME	Trichophycin F
FORMULA	C25H40ClNO4
MOLECULAR WEIGHT (Da)	454.0510
ACCURATE MASS (Da)	453.2646
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Trichodesmium
ORIGIN SPECIES	sp.
InChIKey	WOUKSKQTNWKNDH-BAAHFYCFSA-N
InChI	InChI=1S/C25H40ClNO4/c1-7-24(28)27(5)12-8-9-21(17-26)11-10-18(2)13-19(3)14-20(4)23-15-22(30-6)16-25(29)31-23/h10,16-17,19-20,23H,7-9,11-15H2,1-6H3/b18-10+,21-17+/t19-,20-,23-/m1/s1
SMILES	CCC(=O)N(C)CCC/C(=C\Cl)C/C=C(\C)C[C@@H](C)C[C@@H](C)[C@H]1CC(OC)=CC(=O)O1

ORIGINAL ISOLATION REFERENCE

CITATION	Bertin MJ; Saurí J; Liu Y; Via CW; Roduit AF; Williamson RT Trichophycins B-F, Chlorovinylidene-Containing Polyketides Isolated from a Cyanobacterial Bloom. Journal of Organic Chemistry 2018 83 (21) 13256-13266.
DOI	10.1021/acs.joc.8b02070	PMID	30280904

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Cyanobacteria	LPSN	1117
Class	Cyanophyceae	LPSN	-
Order	Oscillatoriales	LPSN	1150
Family	Microcoleaceae	LPSN	1892252
Genus	Trichodesmium	LPSN	1205

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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