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Compounds

COMPOUND NPA033307

STRUCTURE

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PROPERTIES

NPAID	NPA033307
CLUSTER ID	7095
NODE ID	4881
NAME	Bonnevillamide D
FORMULA	C44H64Cl2N6O14
MOLECULAR WEIGHT (Da)	971.9300
ACCURATE MASS (Da)	970.3858
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	sp. UTZ13
InChIKey	LMBVXCIECVQZON-HYJPTLHKSA-N
InChI	InChI=1S/C44H64Cl2N6O14/c1-19(2)12-29(48-40(58)35(24(9)53)49-39(57)34(65-11)17-26-15-27(45)37(55)28(46)16-26)41(59)51-23(8)33(66-25(10)54)18-31(51)38(56)47-30(13-20(3)4)42(60)52(64)36(21(5)6)43(61)50-22(7)14-32(50)44(62)63/h15-17,19-24,29-33,35-36,53,55,64H,12-14,18H2,1-11H3,(H,47,56)(H,48,58)(H,49,57)(H,62,63)/b34-17-/t22-,23+,24+,29-,30-,31-,32-,33-,35-,36-/m0/s1
SMILES	CO/C(=C\C1=CC(Cl)=C(O)C(Cl)=C1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N1[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N(O)[C@H](C(=O)N2[C@@H](C)C[C@H]2C(=O)O)C(C)C)C[C@H](OC(C)=O)[C@H]1C)[C@@H](C)O

ORIGINAL ISOLATION REFERENCE

CITATION	Shin, Yern-Hyerk; Ban, Yeon Hee; Shin, Jisu; Park, In Wook; Yoon, Soljee; Ko, Keebeom; Shin, Jongheon; Nam, Sang-Jip; Winter, Jaclyn M.; Kim, Youngsoo; Yoon, Yeo Joon; Oh, Dong-Chan Azetidine-Bearing Non-Ribosomal Peptides, Bonnevillamides D and E, Isolated from a Carrion Beetle-Associated Actinomycete Journal of Organic Chemistry 2021 86 (16) 11149-11159.
DOI	10.1021/acs.joc.1c00360	PMID	33979513

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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