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Compounds

COMPOUND NPA001224

STRUCTURE

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PROPERTIES

NPAID	NPA001224
CLUSTER ID	820
NODE ID	712
NAME	M-139603
FORMULA	C35H54O8
MOLECULAR WEIGHT (Da)	602.8090
ACCURATE MASS (Da)	602.3819
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	longisporoflavus
InChIKey	XZJAKURZQBNKKX-MZHAOLHSSA-N
InChI	InChI=1S/C35H54O8/c1-19-9-8-10-25(30(19)23(5)32(38)31-28(37)18-41-35(31)39)16-26(17-36)34-21(3)12-14-27(42-34)13-11-20(2)33-22(4)15-29(43-33)24(6)40-7/h11,13,16,19-25,27,29-30,33-34,36,38H,8-10,12,14-15,17-18H2,1-7H3/b13-11+,26-16+,32-31?/t19-,20+,21-,22+,23+,24?,25-,27-,29-,30-,33+,34-/m1/s1
SMILES	C[C@@H]1CCC[C@@H]([C@H]1[C@H](C)C(=C2C(=O)COC2=O)O)/C=C(\CO)/[C@H]3[C@@H](CC[C@H](O3)/C=C/[C@H](C)[C@H]4[C@H](C[C@@H](O4)C(C)OC)C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Davies, DH; Snape, EW; Suter, PJ; King, TJ; Falshaw, CP Structure of antibiotic M139603; X-ray crystal structure of the 4-bromo-3,5-dinitrobenzoyl derivative Journal of the Chemical Society, Chemical Communications 1981 0 1073-1074.
DOI	10.1039/C39810001073	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

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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