Natural Products Atlas

Compounds

ID	Spectrum Quality	Annotated Name
CCMSLIB00000568501	Bronze	MoNA:964324&2-{6-[(2-{5`-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyltetrahydro-2h-pyran-2-yl]-2,3`-dimethyloctahydro-2,2`-bifuran-5-yl}-9-methoxy-2,4,10-trimethyl-1,6-dioxaspiro[4.5]dec-7-yl)methyl]-3-methyltetrahydro-2h-pyran-2-yl}propanoic&acid
CCMSLIB00000568533	Bronze	MoNA:969501&2-{6-[(2-{5`-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyltetrahydro-2h-pyran-2-yl]-2,3`-dimethyloctahydro-2,2`-bifuran-5-yl}-9-methoxy-2,4,10-trimethyl-1,6-dioxaspiro[4.5]dec-7-yl)methyl]-3-methyltetrahydro-2h-pyran-2-yl}propanoic&acid
CCMSLIB00000568582	Bronze	MoNA:940687&2-{6-[(2-{5`-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyltetrahydro-2h-pyran-2-yl]-2,3`-dimethyloctahydro-2,2`-bifuran-5-yl}-9-methoxy-2,4,10-trimethyl-1,6-dioxaspiro[4.5]dec-7-yl)methyl]-3-methyltetrahydro-2h-pyran-2-yl}propanoic&acid
CCMSLIB00000568790	Bronze	MoNA:947090&2-{6-[(2-{5`-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyltetrahydro-2h-pyran-2-yl]-2,3`-dimethyloctahydro-2,2`-bifuran-5-yl}-9-methoxy-2,4,10-trimethyl-1,6-dioxaspiro[4.5]dec-7-yl)methyl]-3-methyltetrahydro-2h-pyran-2-yl}propanoic&acid
CCMSLIB00000568813	Bronze	MoNA:947057&2-{6-[(2-{5`-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyltetrahydro-2h-pyran-2-yl]-2,3`-dimethyloctahydro-2,2`-bifuran-5-yl}-9-methoxy-2,4,10-trimethyl-1,6-dioxaspiro[4.5]dec-7-yl)methyl]-3-methyltetrahydro-2h-pyran-2-yl}propanoic&acid
CCMSLIB00000568829	Bronze	MoNA:941546&2-{6-[(2-{5`-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyltetrahydro-2h-pyran-2-yl]-2,3`-dimethyloctahydro-2,2`-bifuran-5-yl}-9-methoxy-2,4,10-trimethyl-1,6-dioxaspiro[4.5]dec-7-yl)methyl]-3-methyltetrahydro-2h-pyran-2-yl}propanoic&acid
CCMSLIB00000568878	Bronze	MoNA:947077&2-{6-[(2-{5`-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyltetrahydro-2h-pyran-2-yl]-2,3`-dimethyloctahydro-2,2`-bifuran-5-yl}-9-methoxy-2,4,10-trimethyl-1,6-dioxaspiro[4.5]dec-7-yl)methyl]-3-methyltetrahydro-2h-pyran-2-yl}propanoic&acid
CCMSLIB00000569132	Bronze	MoNA:946648&2-{6-[(2-{5`-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyltetrahydro-2h-pyran-2-yl]-2,3`-dimethyloctahydro-2,2`-bifuran-5-yl}-9-methoxy-2,4,10-trimethyl-1,6-dioxaspiro[4.5]dec-7-yl)methyl]-3-methyltetrahydro-2h-pyran-2-yl}propanoic&acid
CCMSLIB00000570429	Bronze	MoNA:964324&2-{6-[(2-{5`-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyltetrahydro-2h-pyran-2-yl]-2,3`-dimethyloctahydro-2,2`-bifuran-5-yl}-9-methoxy-2,4,10-trimethyl-1,6-dioxaspiro[4.5]dec-7-yl)methyl]-3-methyltetrahydro-2h-pyran-2-yl}propanoic&acid
CCMSLIB00000568403	Bronze	MoNA:941547&2-{6-[(2-{5`-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyltetrahydro-2h-pyran-2-yl]-2,3`-dimethyloctahydro-2,2`-bifuran-5-yl}-9-methoxy-2,4,10-trimethyl-1,6-dioxaspiro[4.5]dec-7-yl)methyl]-3-methyltetrahydro-2h-pyran-2-yl}propanoic&acid
CCMSLIB00000564857	Bronze	MoNA:946648&Nigericin
CCMSLIB00005734632	Gold	3
CCMSLIB00005733662	Gold	3
CCMSLIB00005734817	Gold	3
CCMSLIB00005735716	Gold	3
CCMSLIB00005735849	Gold	3
CCMSLIB00005734310	Gold	3
CCMSLIB00005735327	Gold	3
CCMSLIB00005735656	Gold	3
CCMSLIB00005732005	Gold	3
CCMSLIB00011437821	Gold	3
CCMSLIB00012137368	Gold	4
CCMSLIB00012137364	Gold	4
CCMSLIB00012137363	Gold	4
CCMSLIB00012137365	Gold	4
CCMSLIB00012137367	Gold	4
CCMSLIB00012137366	Gold	4
CCMSLIB00012137369	Gold	4
CCMSLIB00012137360	Gold	4
CCMSLIB00012137359	Gold	4
CCMSLIB00012137362	Gold	4
CCMSLIB00012137361	Gold	4
CCMSLIB00009977165	Gold	4
CCMSLIB00009977161	Gold	4
CCMSLIB00009977160	Gold	4
CCMSLIB00009977162	Gold	4
CCMSLIB00009977164	Gold	4
CCMSLIB00009977163	Gold	4
CCMSLIB00009977166	Gold	4
CCMSLIB00009977157	Gold	4
CCMSLIB00009977156	Gold	4
CCMSLIB00009977158	Gold	4
CCMSLIB00009977159	Gold	4

COMPOUND NPA001792

STRUCTURE

EXPORT OPTIONS	PNG JSON SDF
PROJECT MOLECULE TO GLOBAL VIEW	See Global

EXTERNAL LINKS

PROPERTIES

NPAID	NPA001792
CLUSTER ID	631
NODE ID	561
NAME	Nigericin
FORMULA	C40H68O11
MOLECULAR WEIGHT (Da)	724.9730
ACCURATE MASS (Da)	724.4762
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	sp.
InChIKey	DANUORFCFTYTSZ-SJSJOXFOSA-N
InChI	InChI=1S/C40H68O11/c1-21-11-12-28(46-33(21)26(6)36(42)43)17-29-18-30(45-10)27(7)40(48-29)25(5)19-38(9,51-40)32-13-14-37(8,49-32)35-23(3)16-31(47-35)34-22(2)15-24(4)39(44,20-41)50-34/h21-35,41,44H,11-20H2,1-10H3,(H,42,43)/t21-,22-,23-,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34-,35+,37-,38-,39-,40+/m0/s1
SMILES	C[C@H]1CC[C@@H](O[C@H]1[C@@H](C)C(=O)O)C[C@@H]2C[C@H]([C@H]([C@@]3(O2)[C@@H](C[C@@](O3)(C)[C@H]4CC[C@@](O4)(C)[C@H]5[C@H](C[C@@H](O5)[C@@H]6[C@H](C[C@H]([C@@](O6)(CO)O)C)C)C)C)C)OC

ORIGINAL ISOLATION REFERENCE

CITATION	Steinrauf, LK; Pinkerton, Mary; Chamberlin, JW The structure of nigericin Biochemical and Biophysical Research Communications 1968 33 (1) 29-31.
DOI	10.1016/0006-291x(68)90249-0	PMID	-

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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Compounds

COMPOUND NPA001792

STRUCTURE

PROPERTIES

ORIGINAL ISOLATION REFERENCE

ORIGINAL ISOLATION TAXONOMY

CLASSYFIRE

NP CLASSIFIER