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Compounds

COMPOUND NPA019303

STRUCTURE

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PROPERTIES

NPAID	NPA019303
CLUSTER ID	6043
NODE ID	537
NAME	Chainin
FORMULA	C33H54O10
MOLECULAR WEIGHT (Da)	610.7850
ACCURATE MASS (Da)	610.3717
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Chainia
ORIGIN SPECIES	sp.
InChIKey	QAPUWNJNUGPVPM-ODCCBLIFSA-N
InChI	InChI=1S/C33H54O10/c1-4-5-14-29-32(41)21-28(38)19-26(36)17-24(34)16-25(35)18-27(37)20-31(40)22(2)13-11-9-7-6-8-10-12-15-30(39)23(3)43-33(29)42/h6-13,15,23-32,34-41H,4-5,14,16-21H2,1-3H3/b7-6+,10-8+,11-9+,15-12+,22-13+/t23-,24+,25-,26+,27-,28+,29-,30+,31+,32+/m1/s1
SMILES	CCCC[C@@H]1[C@H](C[C@H](C[C@H](C[C@H](C[C@H](C[C@H](C[C@@H](/C(=C/C=C/C=C/C=C/C=C/[C@@H]([C@H](OC1=O)C)O)/C)O)O)O)O)O)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Pandey, Ramesh C; Narasimhachari, N; Rinehart Jr, Kenneth L; Millington, David S Polyene antibiotics. IV. Structure of chainin Journal of the American Chemical Society 1972 94 (12) 4306-4310.
DOI	10.1021/ja00767a045	PMID	5036646

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	Chainia	LPSN	-

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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