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Compounds

COMPOUND NPA032896

STRUCTURE

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PROPERTIES

NPAID	NPA032896
CLUSTER ID	2347
NODE ID	141
NAME	Microviridin N7
FORMULA	C99H136N22O30
MOLECULAR WEIGHT (Da)	2114.3010
ACCURATE MASS (Da)	2112.9793
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Nostoc
ORIGIN SPECIES	punctiforme PCC73102
InChIKey	FUKGOKWLYPYDLI-FSVKZPRASA-N
InChI	InChI=1S/C99H136N22O30/c1-48(2)39-66-88(138)108-63-32-35-77(130)150-47-71-93(143)114-70(91(141)112-66)44-78(131)151-51(6)81(120-92(142)68(42-54-45-105-60-22-11-10-19-56(54)60)115-94(144)72-25-16-38-121(72)97(147)79(49(3)4)119-87(137)62(31-34-76(128)129)109-95(145)80(50(5)122)118-74(125)46-106-84(134)59(100)30-33-75(126)127)96(146)116-67(41-53-26-28-55(123)29-27-53)89(139)107-61(85(135)111-65(40-52-17-8-7-9-18-52)82(132)57-20-14-21-58(57)83(133)117-71)23-12-13-36-103-73(124)43-69(113-86(63)136)90(140)110-64(98(148)149)24-15-37-104-99(101)102/h7-11,17-19,22,26-29,45,48-51,57-59,61-72,79-81,105,122-123H,12-16,20-21,23-25,30-44,46-47,100H2,1-6H3,(H,103,124)(H,106,134)(H,107,139)(H,108,138)(H,109,145)(H,110,140)(H,111,135)(H,112,141)(H,113,136)(H,114,143)(H,115,144)(H,116,146)(H,117,133)(H,118,125)(H,119,137)(H,120,142)(H,126,127)(H,128,129)(H,148,149)(H4,101,102,104)/t50-,51-,57?,58-,59+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,79+,80+,81+/m1/s1
SMILES	CC(C)C[C@@H]1NC(=O)[C@@H]2CC(=O)O[C@H](C)[C@H](NC(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC3=CC=C(O)C=C3)C(=O)N[C@H]3CCCCNC(=O)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CCC(=O)OC[C@H](NC(=O)[C@@H]4CCCC4C(=O)[C@H](CC4=CC=CC=C4)NC3=O)C(=O)N2)NC1=O

ORIGINAL ISOLATION REFERENCE

CITATION	Dehm, Daniel; Krumbholz, Julia; Baunach, Martin; Wiebach, Vincent; Hinrichs, Katrin; Guljamow, Arthur; Tabuchi, Takeshi; Jenke-Kodama, Holger; Süssmuth, Roderich D.; Dittmann, Elke Unlocking the Spatial Control of Secondary Metabolism Uncovers Hidden Natural Product Diversity in Nostoc punctiforme ACS Chemical Biology 2019 14 (6) 1271-1279.
DOI	10.1021/acschembio.9b00240	PMID	31091070

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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