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Compounds

COMPOUND NPA010733

STRUCTURE

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PROPERTIES

NPAID	NPA010733
CLUSTER ID	263
NODE ID	141
NAME	Septocylindrin B
FORMULA	C94H156N24O24
MOLECULAR WEIGHT (Da)	2006.4260
ACCURATE MASS (Da)	2005.1724
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Septocylindrium
ORIGIN SPECIES	sp. LL-Z1518
InChIKey	CRWYZHLCSZFGGI-WIPSJCMQSA-N
InChI	InChI=1S/C94H156N24O24/c1-49(2)45-60(74(130)112-94(24,25)86(142)117-42-29-33-61(117)75(131)107-67(50(3)4)77(133)115-92(20,21)84(140)116-91(18,19)82(138)106-58(36-39-64(96)122)72(128)105-57(35-38-63(95)121)71(127)102-56(47-98-41-44-119)46-55-31-27-26-28-32-55)103-66(124)48-99-79(135)87(10,11)114-78(134)68(51(5)6)108-83(139)90(16,17)111-73(129)59(37-40-65(97)123)104-69(125)52(7)100-80(136)88(12,13)110-70(126)53(8)101-81(137)89(14,15)113-76(132)62-34-30-43-118(62)85(141)93(22,23)109-54(9)120/h26-28,31-32,49-53,56-62,67-68,98,119H,29-30,33-48H2,1-25H3,(H2,95,121)(H2,96,122)(H2,97,123)(H,99,135)(H,100,136)(H,101,137)(H,102,127)(H,103,124)(H,104,125)(H,105,128)(H,106,138)(H,107,131)(H,108,139)(H,109,120)(H,110,126)(H,111,129)(H,112,130)(H,113,132)(H,114,134)(H,115,133)(H,116,140)/t52-,53-,56?,57?,58-,59-,60-,61-,62+,67-,68-/m0/s1
SMILES	C[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)NC(C)(C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(CC2=CC=CC=C2)CNCCO)NC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)[C@H]3CCCN3C(=O)C(C)(C)NC(=O)C

ORIGINAL ISOLATION REFERENCE

CITATION	Summers, Mia Y.; Kong, Fangming; Feng, Xidong; Siegel, Marshall M.; Janso, Jeffrey E.; Graziani, Edmund I.; Carter, Guy T. Septocylindrins A and B: Peptaibols Produced by the Terrestrial Fungus Septocylindrium sp. LL-Z1518 Journal of Natural Products 2007 70 (3) 391-396.
DOI	10.1021/np060571q	PMID	17288478

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Dothideomycetes	MycoBank	147541
Order	Capnodiales	MycoBank	134362
Family	Mycosphaerellaceae	MycoBank	93133
Genus	Septocylindrium	MycoBank	2081383

SYNTHESES

CITATION 1	Nelissen J; Nuyts K; De Zotti M; Lavigne R; Lamberigts C; De Borggraeve WM Total synthesis of Septocylindrin B and C-terminus modified analogues. PLoS One 2012 7 (12) e51708. DOI: 10.1371/journal.pone.0051708 PMID: 23284749

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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