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Compounds

COMPOUND NPA003142

STRUCTURE

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PROPERTIES

NPAID	NPA003142
CLUSTER ID	58
NODE ID	54
NAME	17-Formyl-17-demethoxy18-O,21-O-dihydrogeldanamycin
FORMULA	C29H40N2O9
MOLECULAR WEIGHT (Da)	560.6440
ACCURATE MASS (Da)	560.2734
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	hygroscopicus
InChIKey	OFASSFOXVUYUFT-GCJLKVIVSA-N
InChI	InChI=1S/C29H40N2O9/c1-15-10-19-20(14-32)22(33)13-21(26(19)35)31-28(36)16(2)8-7-9-23(38-5)27(40-29(30)37)18(4)12-17(3)25(34)24(11-15)39-6/h7-9,12-15,17,23-25,27,33-35H,10-11H2,1-6H3,(H2,30,37)(H,31,36)/b9-7-,16-8-,18-12-/t15-,17+,23+,24+,25-,27+/m1/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)O)OC

ORIGINAL ISOLATION REFERENCE

CITATION	HU, ZHIHAO; LIU, YAOQUAN; TIAN, ZONG-QIANG; MA, WEI; STARKS, COURTNEY M.; REGENTIN, RIKA; LICARI, PETER; MYLES, DAVID C.; HUTCHINSON, C. RICHARD Isolation and Characterization of Novel Geldanamycin Analogues Journal of Antibiotics 2004 57 (7) 421-428.
DOI	10.7164/antibiotics.57.421	PMID	15376554

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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