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Compounds

COMPOUND NPA002994

STRUCTURE

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PROPERTIES

NPAID	NPA002994
CLUSTER ID	106
NODE ID	101
NAME	Isochromophilone X
FORMULA	C27H32ClNO7
MOLECULAR WEIGHT (Da)	518.0060
ACCURATE MASS (Da)	517.1867
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Bartalinia
ORIGIN SPECIES	robillardoides strain LF550
InChIKey	ZRVRVSKUBHAMCG-KZIBRQSFSA-N
InChI	InChI=1S/C27H32ClNO7/c1-6-16(2)11-17(3)7-8-19-14-20-21(15-29(19)9-10-30)25(34)27(5,26(35)24(20)28)36-23(33)13-18(4)12-22(31)32/h7-8,11,13-16,30H,6,9-10,12H2,1-5H3,(H,31,32)/b8-7?,17-11+,18-13+/t16?,27-/m0/s1
SMILES	CCC(C)/C=C(\C)/C=CC1=CC2=C(C(=O)[C@@](C(=O)C2=CN1CCO)(C)OC(=O)/C=C(\C)/CC(=O)O)Cl

ORIGINAL ISOLATION REFERENCE

CITATION	Jansen, Nils; Ohlendorf, Birgit; Erhard, Arlette; Bruhn, Torsten; Bringmann, Gerhard; Imhoff, Johannes F. Helicusin E, isochromophilone X and isochromophilone XI: New chloroazaphilones produced by the fungus Bartalinia robillardoides strain LF550 Marine Drugs 2013 11 (3) 800-816.
DOI	10.3390/md11030800	PMID	23481677

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Sordariomycetes	MycoBank	147550
Order	Amphisphaeriales	MycoBank	-
Family	Sporocadaceae	MycoBank	1812776
Genus	Bartalinia	MycoBank	162405

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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