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Compounds

COMPOUND NPA023803

STRUCTURE

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PROPERTIES

NPAID	NPA023803
CLUSTER ID	2562
NODE ID	2002
NAME	rhizoleucinoside
FORMULA	C42H79NO11
MOLECULAR WEIGHT (Da)	774.0900
ACCURATE MASS (Da)	773.5653
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Bradyrhizobium
ORIGIN SPECIES	sp. BTAi1
InChIKey	BAXSYGWGGUMDOD-KHGFURPJSA-N
InChI	InChI=1S/C42H79NO11/c1-7-10-13-16-19-22-33(26-36(45)43-32(29-44)25-30(4)5)52-37(46)27-34(23-20-17-14-11-8-2)53-38(47)28-35(24-21-18-15-12-9-3)54-42-41(50)40(49)39(48)31(6)51-42/h30-35,39-42,44,48-50H,7-29H2,1-6H3,(H,43,45)/t31-,32-,33+,34+,35+,39-,40+,41+,42-/m0/s1
SMILES	CCCCCCC[C@H](CC(=O)N[C@@H](CC(C)C)CO)OC(=O)C[C@@H](CCCCCCC)OC(=O)C[C@@H](CCCCCCC)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Chen, Jianwei; Sun, Jiadong; Deering, Robert W.; Dasilva, Nicholas; Seeram, Navindra P.; Wang, Hong; Rowley, David C. Rhizoleucinoside, a Rhamnolipid-Amino Alcohol Hybrid from the Rhizobial Symbiont Bradyrhizobium sp. BTAi1 Organic Letters 2016 18 (6) 1490-1493.
DOI	10.1021/acs.orglett.6b00461	PMID	26959412

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Proteobacteria	LPSN	1224
Class	Alphaproteobacteria	LPSN	28211
Order	Rhizobiales	LPSN	-
Family	Bradyrhizobiaceae	LPSN	41294
Genus	Bradyrhizobium	LPSN	374

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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