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Compounds

COMPOUND NPA007361

STRUCTURE

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PROPERTIES

NPAID	NPA007361
CLUSTER ID	279
NODE ID	253
NAME	Leptosin N1
FORMULA	C33H36N6O8S3
MOLECULAR WEIGHT (Da)	740.8860
ACCURATE MASS (Da)	740.1757
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Leptosphaeria
ORIGIN SPECIES	sp.
InChIKey	XEPWGYCXCLPRAU-ZHRZGBMMSA-N
InChI	InChI=1S/C33H36N6O8S3/c1-15(2)32-28(46)39-25-30(17-11-7-9-13-19(17)35-25,23(43)33(39,49-50-48-32)27(45)37(32)4)29-16-10-6-8-12-18(16)34-24(29)38-21(41)20(14-40)36(3)26(44)31(38,47-5)22(29)42/h6-13,15,20,22-25,34-35,40,42-43H,14H2,1-5H3/t20-,22+,23+,24-,25+,29-,30+,31-,32-,33-/m0/s1
SMILES	CC(C)[C@]12C(=O)N3[C@@H]4[C@]([C@H]([C@@]3(C(=O)N1C)SSS2)O)(C5=CC=CC=C5N4)[C@@]67[C@H]([C@@]8(C(=O)N([C@H](C(=O)N8[C@@H]6NC9=CC=CC=C79)CO)C)OC)O

ORIGINAL ISOLATION REFERENCE

CITATION	Yamada, Takeshi; Iwamoto, Chika; Yamagaki, Naoko; Yamanouchi, Takako; Minoura, Katsuhiko; Yamori, Takao; Uehara, Yoshimasa; Andoh, Toshiwo; Umemura, Ken; Numata, Atsushi Leptosins M-N1, cytotoxic metabolites from a Leptosphaeria species separated from a marine alga. Structure determination and biological activities Tetrahedron 2002 58 (3) 479-487.
DOI	10.1016/s0040-4020(01)01170-x	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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