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Compounds

COMPOUND NPA021538

STRUCTURE

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PROPERTIES

NPAID	NPA021538
CLUSTER ID	2605
NODE ID	2027
NAME	Demethyl-L-681,217
FORMULA	C35H51NO10
MOLECULAR WEIGHT (Da)	645.7900
ACCURATE MASS (Da)	645.3513
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	cattleya
InChIKey	VAQBFPWMGXKHCI-GGAQTUBPSA-N
InChI	InChI=1S/C35H51NO10/c1-7-8-11-18-30-34(5,42)29(38)22-35(43,46-30)25(4)33(41)36-20-15-14-16-23(2)32(44-6)24(3)28-21-26(37)27(45-28)17-12-9-10-13-19-31(39)40/h7-19,24-30,32,37-38,42-43H,20-22H2,1-6H3,(H,36,41)(H,39,40)/b8-7-,10-9+,15-14+,17-12+,18-11+,19-13+,23-16+/t24-,25+,26+,27+,28+,29-,30-,32+,34?,35-/m0/s1
SMILES	C/C=C\C=C\[C@H]1C([C@H](C[C@](O1)([C@H](C)C(=O)NC/C=C/C=C(\C)/[C@H]([C@@H](C)[C@H]2C[C@H]([C@H](O2)/C=C/C=C/C=C/C(=O)O)O)OC)O)O)(C)O

ORIGINAL ISOLATION REFERENCE

CITATION	Sugai, Shogo; Komaki, Hisayuki; Hemmi, Hikaru; Kodani, Shinya Isolation and structural determination of a new antibacterial compound demethyl-L-681,217 from Streptomyces cattleya Journal of Antibiotics 2016 69 (11) 839-842.
DOI	10.1038/ja.2016.53	PMID	27220410

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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