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Compounds

COMPOUND NPA009448

STRUCTURE

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PROPERTIES

NPAID	NPA009448
CLUSTER ID	58
NODE ID	54
NAME	(4R)-4,5-dihydro-4-hydroxygeldanamycin
FORMULA	C29H42N2O10
MOLECULAR WEIGHT (Da)	578.6590
ACCURATE MASS (Da)	578.2839
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	hygroscopicus
InChIKey	HNYXYDNFRIJYMY-IKGCBMDFSA-N
InChI	InChI=1S/C29H42N2O10/c1-14-8-19-25(35)20(13-21(33)27(19)40-7)31-28(36)17(4)11-18(32)12-23(39-6)26(41-29(30)37)16(3)10-15(2)24(34)22(9-14)38-5/h10-11,13-15,18,22-24,26,32,34H,8-9,12H2,1-7H3,(H2,30,37)(H,31,36)/b16-10-,17-11-/t14-,15+,18+,22+,23+,24-,26+/m1/s1
SMILES	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(\[C@@H]([C@H](C[C@H](/C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)/C)O)OC)OC(=O)N)/C)C)O)OC

ORIGINAL ISOLATION REFERENCE

CITATION	Li, Ting; Ni, Siyang; Jia, Changhong; Wang, Hongyuan; Sun, Guizhi; Wu, Linzhuan; Gan, Maoluo; Shan, Guangzhi; He, Weiqing; Lin, Ling; Zhou, Hongxia; Wang, Yiguang Identification of 4,5-dihydro-4-hydroxygeldanamycins as shunt products of geldanamycin biosynthesis Journal of Natural Products 2012 75 (8) 1480-1484.
DOI	10.1021/np3001738	PMID	22849774

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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