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Compounds

COMPOUND NPA013472

STRUCTURE

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PROPERTIES

NPAID	NPA013472
CLUSTER ID	4931
NODE ID	3541
NAME	Borophycin
FORMULA	C44H68BO14-
MOLECULAR WEIGHT (Da)	831.8260
ACCURATE MASS (Da)	831.4708
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Nostoc
ORIGIN SPECIES	linckia
InChIKey	BGRNGNLBUCICNR-RJJDCBJOSA-N
InChI	InChI=1S/C44H68BO14/c1-9-31-19-15-11-13-17-29(46)25-33(48)42(7,8)36-24-22-28(4)44(55-36)38-40(51)53-32(10-2)20-16-12-14-18-30(47)26-34(49)41(5,6)35-23-21-27(3)43(54-35)37(39(50)52-31)56-45(57-38,58-43)59-44/h11-12,15-16,27-32,35-38,46-47H,9-10,13-14,17-26H2,1-8H3/q-1/b15-11-,16-12-/t27-,28-,29+,30+,31+,32+,35+,36+,37?,38?,43+,44+,45?/m1/s1
SMILES	[B-]123O[C@]45O[C@H](C(C(=O)C[C@H](CC/C=C\C[C@@H](OC(=O)C(O1)[C@]6(O2)O[C@H](C(C(=O)C[C@H](CC/C=C\C[C@@H](OC(=O)C4O3)CC)O)(C)C)CC[C@H]6C)CC)O)(C)C)CC[C@H]5C

ORIGINAL ISOLATION REFERENCE

CITATION	Hemscheidt, Thomas; Puglisi, Melany P.; Larsen, Linda K.; Patterson, Gregory M. L.; Moore, Richard E.; Rios, Jorge L.; Clardy, Jon Structure and biosynthesis of borophycin, a new boeseken complex of boric acid from a marine strain of the blue-green alga Nostoc linckia Journal of Organic Chemistry 1994 59 (12) 3467-3471.
DOI	10.1021/jo00091a042	PMID	-

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Cyanobacteria	LPSN	1117
Class	Cyanophyceae	LPSN	-
Order	Nostocales	LPSN	1161
Family	Nostocaceae	LPSN	1162
Genus	Nostoc	LPSN	1177

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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