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Compounds

COMPOUND NPA001602

STRUCTURE

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PROPERTIES

NPAID	NPA001602
CLUSTER ID	1035
NODE ID	892
NAME	Spectinabilin
FORMULA	C28H31NO6
MOLECULAR WEIGHT (Da)	477.5570
ACCURATE MASS (Da)	477.2151
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	spectabilis
InChIKey	IZICQJAGBLBAMJ-MNOZRKQQSA-N
InChI	InChI=1S/C28H31NO6/c1-17(11-18(2)13-22-7-9-24(10-8-22)29(31)32)12-19(3)14-23-15-25(34-16-23)27-20(4)26(30)21(5)28(33-6)35-27/h7-14,25H,15-16H2,1-6H3/b17-11+,18-13+,19-12+,23-14-
SMILES	CC1=C(OC(=C(C1=O)C)OC)C2C/C(=C/C(=C/C(=C/C(=C/C3=CC=C(C=C3)[N+](=O)[O-])/C)/C)/C)/CO2

ORIGINAL ISOLATION REFERENCE

CITATION	Kakinuma, K; Hanson, CA; Rinehart Jr, KL Spectinabilin, a new nitro-containing metabolite isolated from Streptomyces spectabilis Tetrahedron 1976 32 (2) 217-222.
DOI	10.1016/0040-4020(76)87004-4	PMID	-

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	Jacobsen MF; Moses JE; Adlington RM; Baldwin JE The total synthesis of spectinabilin and its biomimetic conversion to SNF4435C and SNF4435D. Organic Letters 2005 7 (12) 2473-2476. DOI: 10.1021/ol0507874 PMID: 15932226

CLASSYFIRE

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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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