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Compounds

COMPOUND NPA020016

STRUCTURE

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PROPERTIES

NPAID	NPA020016
CLUSTER ID	326
NODE ID	296
NAME	Homorapamycin B
FORMULA	C52H81NO13
MOLECULAR WEIGHT (Da)	928.2140
ACCURATE MASS (Da)	927.5708
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	hygroscopicus
InChIKey	XBZRWMBSOMJCLS-UTPRINMESA-N
InChI	InChI=1S/C52H81NO13/c1-11-37-18-14-12-13-17-31(2)43(62-8)29-39-22-20-36(7)52(61,66-39)49(58)50(59)53-24-16-15-19-40(53)51(60)65-44(33(4)26-38-21-23-41(54)45(28-38)63-9)30-42(55)32(3)25-34(5)46(56)48(64-10)47(57)35(6)27-37/h12-14,17-18,25,32-33,35-41,43-46,48,54,56,61H,11,15-16,19-24,26-30H2,1-10H3/b13-12?,18-14?,31-17?,34-25-/t32-,33?,35-,36-,37-,38?,39-,40+,41-,43+,44-,45-,46-,48-,52-/m1/s1
SMILES	CC[C@H]1C[C@H](C(=O)[C@@H]([C@@H](/C(=C\[C@H](C(=O)C[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]3([C@@H](CC[C@@H](O3)C[C@@H](C(=CC=CC=C1)C)OC)C)O)C(C)CC4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C

ORIGINAL ISOLATION REFERENCE

CITATION	Kong, Fangming; Zhu, Tianmin; Yu, Ker; Pagano, Thomas G.; Desai, Parimal; Radebaugh, Galen; Fawzi, Mahdi Isolation and Structure of Homotemsirolimuses A, B, and C Journal of Natural Products 2011 74 (4) 547-553.
DOI	10.1021/np1003388	PMID	21438579

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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