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Compounds

COMPOUND NPA019628

STRUCTURE

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PROPERTIES

NPAID	NPA019628
CLUSTER ID	1027
NODE ID	885
NAME	13-N-demethylmethylpendolmycin
FORMULA	C22H31N3O2
MOLECULAR WEIGHT (Da)	369.5090
ACCURATE MASS (Da)	369.2416
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Marinactinospora
ORIGIN SPECIES	thermotolerans
InChIKey	RNSOUHHDODDYEH-RFUYNDQBSA-N
InChI	InChI=1S/C22H31N3O2/c1-6-13(3)19-21(27)24-15(12-26)10-14-11-23-20-16(22(4,5)7-2)8-9-17(25-19)18(14)20/h7-9,11,13,15,19,23,25-26H,2,6,10,12H2,1,3-5H3,(H,24,27)/t13-,15-,19-/m0/s1
SMILES	CC[C@H](C)[C@H]1C(=O)N[C@@H](CC2=CNC3=C(C=CC(=C23)N1)C(C)(C)C=C)CO

ORIGINAL ISOLATION REFERENCE

CITATION	Huang, Hongbo; Yao, Yueliang; He, Zhengxiang; Yang, Tingting; Ma, Junying; Tian, Xinpeng; Li, Yayong; Huang, Caiguo; Chen, Xiaoping; Li, Wenjun; Zhang, Si; Zhang, Changsheng; Ju, Jianhua Antimalarial β-carboline and indolactam alkaloids from Marinactinospora thermotolerans, a deep sea isolate Journal of Natural Products 2011 74 (10) 2122-2127.
DOI	10.1021/np200399t	PMID	21977916

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Actinobacteria	LPSN	201174
Class	Actinobacteria	LPSN	-
Order	Streptosporangiales	LPSN	85012
Family	Nocardiopsaceae	LPSN	83676
Genus	Marinactinospora	LPSN	647960

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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