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Compounds

COMPOUND NPA004375

STRUCTURE

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PROPERTIES

NPAID	NPA004375
CLUSTER ID	83
NODE ID	78
NAME	Not named
FORMULA	C20H22N2O5S2
MOLECULAR WEIGHT (Da)	434.5390
ACCURATE MASS (Da)	434.0970
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Menisporopsis
ORIGIN SPECIES	theobromae BCC 3975
InChIKey	AVDUYOJPBSBNCQ-PSJNWGMYSA-N
InChI	InChI=1S/C20H22N2O5S2/c1-28-19-8-11-4-3-5-13(23)15(11)21(19)18(26)20(29-2)9-12-10-27-7-6-14(24)16(12)22(20)17(19)25/h3-7,10,13-16,23-24H,8-9H2,1-2H3/t13-,14-,15-,16-,19+,20+/m0/s1
SMILES	CS[C@@]12CC3=CC=C[C@@H]([C@H]3N1C(=O)[C@@]4(CC5=COC=C[C@@H]([C@H]5N4C2=O)O)SC)O

ORIGINAL ISOLATION REFERENCE

CITATION	Chinworrungsee, Maneekarn; Kittakoop, Prasat; Saenboonrueng, Janya; Kongsaeree, Palangpon; Thebtaranonth, Yodhathai Bioactive compounds from the seed fungus Menisporopsis theobromae BCC 3975 Journal of Natural Products 2006 69 (10) 1404-1410.
DOI	10.1021/np0601197	PMID	17067151

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Sordariomycetes	MycoBank	147550
Order	Chaetosphaeriales	MycoBank	261460
Family	Chaetosphaeriaceae	MycoBank	103886
Genus	Menisporopsis	MycoBank	752603

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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