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Compounds

ID	Spectrum Quality	Annotated Name
CCMSLIB00005723292	Gold	3
CCMSLIB00005723294	Gold	3
CCMSLIB00005723299	Gold	3
CCMSLIB00005724270	Gold	3
CCMSLIB00005724295	Gold	3
CCMSLIB00012105018	Gold	4
CCMSLIB00012105019	Gold	4
CCMSLIB00009944815	Gold	4
CCMSLIB00009944816	Gold	4

COMPOUND NPA010382

STRUCTURE

Image structure

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PROPERTIES

NPAID	NPA010382
CLUSTER ID	664
NODE ID	590
NAME	Concanamycin B
FORMULA	C45H73NO14
MOLECULAR WEIGHT (Da)	852.0720
ACCURATE MASS (Da)	851.5031
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	diastatochromogenes S-45
InChIKey	AQXXGIBOZQZSAT-XDUMZDCNSA-N
InChI	InChI=1S/C45H73NO14/c1-13-15-33-27(6)36(57-37-21-32(47)42(31(10)56-37)59-44(46)52)22-45(53,60-33)30(9)40(50)29(8)41-34(54-11)17-14-16-23(2)18-25(4)38(48)28(7)39(49)26(5)19-24(3)20-35(55-12)43(51)58-41/h13-17,19-20,25-34,36-42,47-50,53H,18,21-22H2,1-12H3,(H2,46,52)/b15-13+,17-14+,23-16+,24-19+,35-20-/t25-,26-,27-,28+,29+,30+,31-,32-,33-,34+,36-,37+,38+,39-,40-,41-,42-,45-/m1/s1
SMILES	C/C=C/[C@@H]1[C@H]([C@@H](C[C@@](O1)([C@@H](C)[C@@H]([C@H](C)[C@@H]2[C@H](/C=C/C=C(/C[C@H]([C@@H]([C@@H]([C@@H]([C@@H](/C=C(/C=C(/C(=O)O2)\OC)\C)C)O)C)O)C)\C)OC)O)O)O[C@H]3C[C@H]([C@@H]([C@H](O3)C)OC(=O)N)O)C

ORIGINAL ISOLATION REFERENCE

CITATION	Kinashi, H; Sakaguchi, K; Higashijima, T; Miyazawa, T Structures of concanamycins B and C Journal of Antibiotics 1982 35 (11) 1618-1620.
DOI	10.7164/antibiotics.35.1618	PMID	7161199

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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