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Compounds

COMPOUND NPA011993

STRUCTURE

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PROPERTIES

NPAID	NPA011993
CLUSTER ID	647
NODE ID	574
NAME	AT2433-A1
FORMULA	C34H35ClN4O9
MOLECULAR WEIGHT (Da)	679.1260
ACCURATE MASS (Da)	678.2093
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Actinomadura
ORIGIN SPECIES	melliaura sp. nov. (SCC 1655)
InChIKey	CGQSZYLXZOKJEJ-VYCQBBBDSA-N
InChI	InChI=1S/C34H35ClN4O9/c1-36-18-12-46-21(11-19(18)40)47-13-20-31(45-3)29(41)30(42)34(48-20)39-27-15(8-6-9-16(27)35)23-25-24(32(43)38(2)33(25)44)22-14-7-4-5-10-17(14)37-26(22)28(23)39/h4-10,18-21,29-31,34,36-37,40-42H,11-13H2,1-3H3/t18-,19-,20+,21-,29+,30+,31+,34+/m0/s1
SMILES	CN[C@H]1CO[C@H](C[C@@H]1O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)N3C4=C(C=CC=C4Cl)C5=C6C(=C7C8=CC=CC=C8NC7=C53)C(=O)N(C6=O)C)O)O)OC

ORIGINAL ISOLATION REFERENCE

CITATION	Matson; Claridge; Bush; Titus; Bradner; Doyle; Horan; Patel AT2433-A1, AT2433-A2, AT2433-B1, and AT2433-B2. Novel antitumor antibiotic compounds produced by Actinomadura melliaura - Taxonomy, fermentation, isolation and biological properties Journal of Antibiotics 1989 42 (11) 1547-1555.
DOI	10.7164/antibiotics.42.1547	PMID	2584136

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Actinobacteria	LPSN	201174
Class	Actinobacteria	LPSN	-
Order	Streptosporangiales	LPSN	85012
Family	Thermomonosporaceae	LPSN	2012
Genus	Actinomadura	LPSN	1988

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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