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Compounds

COMPOUND NPA009329

STRUCTURE

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PROPERTIES

NPAID	NPA009329
CLUSTER ID	1136
NODE ID	971
NAME	Cephalosporin C
FORMULA	C16H21N3O8S
MOLECULAR WEIGHT (Da)	415.4240
ACCURATE MASS (Da)	415.1049
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Acremonium
ORIGIN SPECIES	sp.
InChIKey	HOKIDJSKDBPKTQ-UHFFFAOYSA-N
InChI	InChI=1S/C16H21N3O8S/c1-7(20)27-5-8-6-28-14-11(13(22)19(14)12(8)16(25)26)18-10(21)4-2-3-9(17)15(23)24/h9,11,14H,2-6,17H2,1H3,(H,18,21)(H,23,24)(H,25,26)
SMILES	CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CCCC(C(=O)O)N)SC1)C(=O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Abraham, E p; Newton, G g The structure of cephalesporin C Biochemical Journal 1961 79 377-393.
DOI	10.1042/bj0790377	PMID	13681080

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Sordariomycetes	MycoBank	147550
Order	Hypocreales	MycoBank	5125
Genus	Acremonium	MycoBank	159075

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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