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Compounds

COMPOUND NPA016498

STRUCTURE

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PROPERTIES

NPAID	NPA016498
CLUSTER ID	298
NODE ID	270
NAME	Neomaclafungin C
FORMULA	C45H78O11
MOLECULAR WEIGHT (Da)	795.1080
ACCURATE MASS (Da)	794.5544
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Actinoalloteichus
ORIGIN SPECIES	sp. NPS702
InChIKey	KECXAEJZVTUDAF-JASURUQASA-N
InChI	InChI=1S/C45H78O11/c1-8-33-15-12-10-11-13-17-37(48)31(5)38(49)26-35(53-7)27-39(50)32(6)44(52)30(4)18-21-43(51)54-42-28-45(55-40(20-19-33)36(42)16-14-24-46)23-22-29(3)41(56-45)25-34(47)9-2/h10-12,15,18,21,29-42,44,46-50,52H,8-9,13-14,16-17,19-20,22-28H2,1-7H3/t29-,30-,31+,32-,33-,34+,35+,36+,37+,38-,39+,40-,41-,42-,44+,45-/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](CC)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)CCCO

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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