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Compounds

COMPOUND NPA000732

STRUCTURE

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PROPERTIES

NPAID	NPA000732
CLUSTER ID	279
NODE ID	253
NAME	Leptosin K2
FORMULA	C34H36N6O6S6
MOLECULAR WEIGHT (Da)	817.1000
ACCURATE MASS (Da)	816.1021
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Leptosphaeria
ORIGIN SPECIES	sp.
InChIKey	BVEBIRVGKKWMTQ-XIBRWGQVSA-N
InChI	InChI=1S/C34H36N6O6S6/c1-15(2)31-27(45)39-23-29(17-11-7-9-13-19(17)35-23,21(41)33(39,48-47-31)25(43)37(31)5)30-18-12-8-10-14-20(18)36-24(30)40-28(46)32(16(3)4)38(6)26(44)34(40,22(30)42)50-52-51-49-32/h7-16,21-24,35-36,41-42H,1-6H3/t21-,22-,23-,24+,29-,30?,31-,32?,33+,34-/m0/s1
SMILES	CC(C)[C@]12C(=O)N3[C@H]4[C@@]([C@@H]([C@]3(C(=O)N1C)SS2)O)(C5=CC=CC=C5N4)C67[C@@H]([C@]89C(=O)N(C(C(=O)N8[C@H]6NC1=CC=CC=C71)(SSSS9)C(C)C)C)O

ORIGINAL ISOLATION REFERENCE

CITATION	Takahashi, Chika; Minoura, Katsuhiko; Yamada, Takeshi; Numata, Atsushi; Kushida, Katsuhiko; Shingu, Tetsuro; Hagishita, Sanji; Nakai, Hiroshi; Sato, Tomohiro; Harada, Hiroshi Potent cytotoxic metabolites from a Leptosphaeria species. Structure determination and conformational analysis Tetrahedron 1995 51 (12) 3483-3498.
DOI	10.1016/0040-4020(95)00102-e	PMID	-

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Dothideomycetes	MycoBank	147541
Order	Pleosporales	MycoBank	92860
Family	Leptosphaeriaceae	MycoBank	34374
Genus	Leptosphaeria	MycoBank	5021

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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