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Compounds

COMPOUND NPA002269

STRUCTURE

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PROPERTIES

NPAID	NPA002269
CLUSTER ID	1364
NODE ID	1147
NAME	C-1027 chromophore-V
FORMULA	C43H43Cl2N3O13
MOLECULAR WEIGHT (Da)	880.7310
ACCURATE MASS (Da)	879.2173
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	sp.
InChIKey	LGXLUMUDRRLAQZ-KPASYSSUSA-N
InChI	InChI=1S/C43H43Cl2N3O13/c1-18-39(53)47-33-23(14-20(55-6)15-28(33)57-18)40(54)58-29-17-56-30(50)16-26(46)19-12-25(44)36(27(49)13-19)59-38-22-10-9-21(29)32(45)31(22)24-8-7-11-43(24,38)61-41-35(52)34(51)37(48(4)5)42(2,3)60-41/h7-15,26,29,34-35,37-38,41,49,51-52H,1,16-17,46H2,2-6H3,(H,47,53)/t26-,29-,34-,35+,37-,38+,41-,43+/m0/s1
SMILES	CC1([C@H]([C@H]([C@H]([C@@H](O1)O[C@]23C=CC=C2C4=C5[C@H]3OC6=C(C=C(C=C6Cl)[C@H](CC(=O)OC[C@@H](C(=C4Cl)C=C5)OC(=O)C7=CC(=CC8=C7NC(=O)C(=C)O8)OC)N)O)O)O)N(C)C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Moon, Kyuho; Ahn, Chan-Hong; Shin, Yoonho; Won, Tae Hyung; Ko, Keebeom; Lee, Sang Kook; Oh, Ki-Bong; Shin, Jongheon; Nam, Seung-Il; Oh, Dong-Chan New benzoxazine secondary metabolites from an arctic actinomycete Marine Drugs 2014 12 (5) 2526-5238.
DOI	10.3390/md12052526	PMID	24796308

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Actinobacteria	LPSN	201174
Class	Actinobacteria	LPSN	-
Order	Streptomycetales	LPSN	85011
Family	Streptomycetaceae	LPSN	2062
Genus	Streptomyces	LPSN	1883

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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