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Compounds

COMPOUND NPA021081

STRUCTURE

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PROPERTIES

NPAID	NPA021081
CLUSTER ID	1200
NODE ID	1020
NAME	Herbicidin C
FORMULA	C17H21N5O9
MOLECULAR WEIGHT (Da)	439.3810
ACCURATE MASS (Da)	439.1339
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	saganonensis No. 4075
InChIKey	OEWSVQOLWMAJBV-ADWYMRBVSA-N
InChI	InChI=1S/C17H21N5O9/c1-28-16(26)11-8(23)12(25)17(27)6(30-11)2-5-10(31-17)9(24)15(29-5)22-4-21-7-13(18)19-3-20-14(7)22/h3-6,8-12,15,23-25,27H,2H2,1H3,(H2,18,19,20)/t5-,6-,8-,9+,10-,11+,12+,15-,17+/m1/s1
SMILES	COC(=O)[C@@H]1[C@H]([C@@H]([C@@]2([C@H](O1)C[C@@H]3[C@@H](O2)[C@@H]([C@@H](O3)N4C=NC5=C4N=CN=C5N)O)O)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Takiguchi Y; Yoshikawa H; Terahara A; Torikata A; Terao M HERBICIDINS C AND E, TWO NEW NUCLEOSIDE ANTIBIOTICS Journal of Antibiotics 1979 32 (9) 857-861.
DOI	10.7164/antibiotics.32.857	PMID	117003

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

SYNTHESES

CITATION 1	Hager D; Paulitz C; Tiebes J; Mayer P; Trauner D Total synthesis of herbicidin C and aureonuclemycin: impasses and new avenues. Journal of Organic Chemistry 2013 78 (21) 10784-801. DOI: 10.1021/jo401706r PMID: 24074399

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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