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Compounds

COMPOUND NPA001368

STRUCTURE

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PROPERTIES

NPAID	NPA001368
CLUSTER ID	58
NODE ID	54
NAME	11-methoxy-17-formyl-17-demethoxy-18-O-21-O-dihydrogeldanamycin
FORMULA	C30H42N2O9
MOLECULAR WEIGHT (Da)	574.6710
ACCURATE MASS (Da)	574.2890
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	hygroscopicus A070101
InChIKey	HQFCNCFMYXBIIK-ZKKBMTTCSA-N
InChI	InChI=1S/C30H42N2O9/c1-16-11-20-21(15-33)23(34)14-22(26(20)35)32-29(36)17(2)9-8-10-24(38-5)28(41-30(31)37)19(4)13-18(3)27(40-7)25(12-16)39-6/h8-10,13-16,18,24-25,27-28,34-35H,11-12H2,1-7H3,(H2,31,37)(H,32,36)/b10-8-,17-9-,19-13-/t16-,18-,24-,25-,27+,28-/m0/s1
SMILES	C[C@@H]1C[C@@H]([C@@H]([C@H](/C=C(\[C@@H]([C@H](/C=C\C=C(/C(=O)NC2=CC(=C(C(=C2O)C1)C=O)O)\C)OC)OC(=O)N)/C)C)OC)OC

ORIGINAL ISOLATION REFERENCE

CITATION	Zhang, Hao; Sun, Guang-Zhi; Li, Xiang; Pan, Hong-Yu; Zhang, Yan-Sheng A New Geldanamycin Analogue from Streptomyces hygroscopicus Molecules 2010 15 (3) 1161-1167.
DOI	10.3390/molecules15031161	PMID	20335971

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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