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Compounds

COMPOUND NPA004770

STRUCTURE

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PROPERTIES

NPAID	NPA004770
CLUSTER ID	298
NODE ID	270
NAME	Neomaclafungin E
FORMULA	C43H74O10
MOLECULAR WEIGHT (Da)	751.0550
ACCURATE MASS (Da)	750.5282
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Actinoalloteichus
ORIGIN SPECIES	sp. NPS702
InChIKey	UQDHWQPVMWPPJY-WWOQFYQASA-N
InChI	InChI=1S/C43H74O10/c1-9-32-15-13-11-12-14-16-35(45)30(6)36(46)24-33(50-8)25-37(47)31(7)42(49)28(4)17-20-41(48)51-40-26-43(52-38(19-18-32)34(40)10-2)22-21-27(3)39(53-43)23-29(5)44/h11-13,15,17,20,27-40,42,44-47,49H,9-10,14,16,18-19,21-26H2,1-8H3/t27-,28-,29+,30+,31-,32-,33+,34+,35+,36-,37+,38-,39-,40-,42+,43-/m0/s1
SMILES	CC[C@@H]1CC[C@H]2[C@H]([C@H](C[C@]3(O2)CC[C@@H]([C@@H](O3)C[C@@H](C)O)C)OC(=O)C=C[C@@H]([C@H]([C@H]([C@@H](C[C@@H](C[C@@H]([C@@H]([C@@H](CCC=CC=C1)O)C)O)OC)O)C)O)C)CC

ORIGINAL ISOLATION REFERENCE

CITATION	Sato, Seizo; Iwata, Fumie; Yamada, Shoichi; Katayama, Masashi Neomaclafungins A-I: Oligomycin-class macrolides from a marine-derived actinomycete Journal of Natural Products 2012 75 (11) 1974-1982.
DOI	10.1021/np300719g	PMID	23102410

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Actinobacteria	LPSN	201174
Class	Actinobacteria	LPSN	-
Order	Pseudonocardiales	LPSN	85010
Family	Pseudonocardiaceae	LPSN	2070
Genus	Actinoalloteichus	LPSN	65496

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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