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Compounds

COMPOUND NPA024385

STRUCTURE

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PROPERTIES

NPAID	NPA024385
CLUSTER ID	7454
NODE ID	5098
NAME	Crocagin B
FORMULA	C28H31N5O7
MOLECULAR WEIGHT (Da)	549.5840
ACCURATE MASS (Da)	549.2223
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Chondromyces
ORIGIN SPECIES	crocatus Cm c5
InChIKey	VJSALQKIBNEDBI-HMXBKABSSA-N
InChI	InChI=1S/C28H31N5O7/c1-4-13(2)19(30-3)24(35)31-20-21(14-9-11-15(34)12-10-14)32-17-8-6-5-7-16(17)18-23(40-28(29)39)22(27(37)38)33(25(18)32)26(20)36/h5-13,18-19,22-23,25,30,34H,4H2,1-3H3,(H2,29,39)(H,31,35)(H,37,38)/t13-,18-,19-,22-,23-,25+/m0/s1
SMILES	CC[C@H](C)[C@@H](C(=O)NC1=C(N2[C@H]3[C@H]([C@@H]([C@H](N3C1=O)C(=O)O)OC(=O)N)C4=CC=CC=C42)C5=CC=C(C=C5)O)NC

ORIGINAL ISOLATION REFERENCE

CITATION	Viehrig, Konrad; Surup, Frank; Volz, Carsten; Herrmann, Jennifer; Abou Fayad, Antoine; Adam, Sebastian; Köhnke, Jesko; Trauner, Dirk; Müller, Rolf Structure and Biosynthesis of Crocagins: Polycyclic Posttranslationally Modified Ribosomal Peptides from Chondromyces crocatus Angewandte Chemie International Edition 2017 56 (26) 7407-7410.
DOI	10.1002/anie.201612640	PMID	28544148

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Proteobacteria	LPSN	1224
Class	Deltaproteobacteria	LPSN	28221
Order	Myxococcales	LPSN	29
Family	Polyangiaceae	LPSN	49
Genus	Chondromyces	LPSN	50

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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