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Compounds

COMPOUND NPA013610

STRUCTURE

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PROPERTIES

NPAID	NPA013610
CLUSTER ID	1331
NODE ID	1123
NAME	13-Demethoxyascomycin
FORMULA	C42H67NO11
MOLECULAR WEIGHT (Da)	761.9940
ACCURATE MASS (Da)	761.4714
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	hygroscopicus
InChIKey	NQOSTUJJRNZJSF-OGNDCYJKSA-N
InChI	InChI=1S/C42H67NO11/c1-9-30-19-24(2)18-25(3)20-37(52-8)35-16-13-27(5)42(50,54-35)39(47)40(48)43-17-11-10-12-31(43)41(49)53-38(28(6)33(45)23-34(30)46)26(4)21-29-14-15-32(44)36(22-29)51-7/h19,21,25,27-33,35-38,44-45,50H,9-18,20,22-23H2,1-8H3/b24-19-,26-21+/t25-,27+,28+,29-,30+,31-,32+,33-,35-,36+,37-,38+,42+/m0/s1
SMILES	CC[C@@H]1/C=C(\C[C@@H](C[C@@H]([C@@H]2CC[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)C)/C

ORIGINAL ISOLATION REFERENCE

CITATION	Carney, John R; Ashley, Gary W; Arslanian, Robert L; Buchannan, Greg O Structure Elucidation of New Ascomycins Produced by Genetic Engineering Journal of Antibiotics 2005 58 (11) 715-721.
DOI	10.1038/ja.2005.97	PMID	16466025

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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