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Compounds

COMPOUND NPA013680

STRUCTURE

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PROPERTIES

NPAID	NPA013680
CLUSTER ID	616
NODE ID	549
NAME	Sulfadixiamycin C
FORMULA	C46H48N2O8S
MOLECULAR WEIGHT (Da)	788.9630
ACCURATE MASS (Da)	788.3131
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	albus
InChIKey	JUHALZHBXHSBMH-LPHIXDDYSA-N
InChI	InChI=1S/C46H48N2O8S/c1-43-17-15-37(49)45(3,41(51)52)35(43)13-9-23-19-34-28(21-30(23)43)27-20-24(10-12-33(27)47-34)57(55,56)40-26-11-14-36-44(2,18-16-38(50)46(36,4)42(53)54)31(26)22-29-25-7-5-6-8-32(25)48-39(29)40/h5-8,10,12,19-22,35-38,47-50H,9,11,13-18H2,1-4H3,(H,51,52)(H,53,54)/t35-,36-,37+,38+,43-,44-,45+,46+/m1/s1
SMILES	C[C@]12CC[C@H](O)[C@@](C)(C(=O)O)[C@@H]1CCC1=C2C=C2C(=C1)NC1=C2C=C(S(=O)(=O)C2=C3CC[C@@H]4[C@](C)(CC[C@H](O)[C@@]4(C)C(=O)O)C3=CC3=C2NC2=CC=CC=C23)C=C1

ORIGINAL ISOLATION REFERENCE

CITATION	Baunach, Martin; Ding, Ling; Willing, Karsten; Hertweck, Christian Bacterial Synthesis of Unusual Sulfonamide and Sulfone Antibiotics by Flavoenzyme-Mediated Sulfur Dioxide Capture Angewandte Chemie International Edition 2015 54 (45) 13279-13283.
DOI	10.1002/anie.201506541	PMID	26366473

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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