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Compounds

COMPOUND NPA013519

STRUCTURE

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PROPERTIES

NPAID	NPA013519
CLUSTER ID	279
NODE ID	253
NAME	Leptosin I
FORMULA	C32H32N6O7S4
MOLECULAR WEIGHT (Da)	740.9110
ACCURATE MASS (Da)	740.1215
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Leptosphaeria
ORIGIN SPECIES	sp. OUPS-4
InChIKey	PZFMMBJJDMZAIP-ZHAQRSJSSA-N
InChI	InChI=1S/C32H32N6O7S4/c1-14(2)31-27(44)38-24-29(16-10-6-8-12-18(16)34-24)22(32(38,26(43)36(31)4)47-49-48-46-31)45-30-21(41)28(29)15-9-5-7-11-17(15)33-23(28)37(30)20(40)19(13-39)35(3)25(30)42/h5-12,14,19,21-24,33-34,39,41H,13H2,1-4H3/t19-,21+,22+,23+,24-,28+,29-,30+,31+,32+/m0/s1
SMILES	CC(C)[C@@]12C(=O)N3[C@H]4[C@@]5([C@H]([C@]3(C(=O)N1C)SSSS2)O[C@@]67[C@@H]([C@]58[C@@H](N6C(=O)[C@@H](N(C7=O)C)CO)NC9=CC=CC=C89)O)C1=CC=CC=C1N4

ORIGINAL ISOLATION REFERENCE

CITATION	Takahashi; Numata; Matsumura; Minoura; Shingu; Ito; Hasegawa Leptosins I and J, cytotoxic substances produced by a Leptosphacria sp. Physico-chemical properties and structures Journal of Antibiotics 1994 47 (11) 1242-1249.
DOI	10.7164/antibiotics.47.1242	PMID	8002386

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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