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Compounds

COMPOUND NPA033308

STRUCTURE

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PROPERTIES

NPAID	NPA033308
CLUSTER ID	7095
NODE ID	4881
NAME	Bonnevillamide E
FORMULA	C44H62Cl2N6O13
MOLECULAR WEIGHT (Da)	953.9150
ACCURATE MASS (Da)	952.3752
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	sp. UTZ13
InChIKey	KNXJPIWWQWMTSD-IUATYZGISA-N
InChI	InChI=1S/C44H62Cl2N6O13/c1-12-29(47-40(57)35(64-11)18-26-16-27(45)37(54)28(46)17-26)38(55)48-30(13-20(2)3)41(58)51-24(9)34(65-25(10)53)19-32(51)39(56)49-31(14-21(4)5)42(59)52(63)36(22(6)7)43(60)50-23(8)15-33(50)44(61)62/h12,16-18,20-24,30-34,36,54,63H,13-15,19H2,1-11H3,(H,47,57)(H,48,55)(H,49,56)(H,61,62)/b29-12-,35-18-/t23-,24+,30-,31-,32-,33-,34-,36-/m0/s1
SMILES	C/C=C(\NC(=O)/C(=C/C1=CC(Cl)=C(O)C(Cl)=C1)OC)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

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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