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Compounds

COMPOUND NPA018225

STRUCTURE

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PROPERTIES

NPAID	NPA018225
CLUSTER ID	923
NODE ID	798
NAME	Sclerotiotide D
FORMULA	C22H34N4O4
MOLECULAR WEIGHT (Da)	418.5380
ACCURATE MASS (Da)	418.2580
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Aspergillus
ORIGIN SPECIES	sclerotiorum PT06-1
InChIKey	IBQPLRWXHSRNAW-HKOHPQHRSA-N
InChI	InChI=1S/C22H34N4O4/c1-6-7-8-9-10-13-18(27)25-17-12-11-14-23-20(28)16(4)24-21(29)19(15(2)3)26(5)22(17)30/h6-10,13,15-17,19H,11-12,14H2,1-5H3,(H,23,28)(H,24,29)(H,25,27)/b7-6-,9-8+,13-10+/t16-,17-,19-/m0/s1
SMILES	C/C=C\C=C\C=C\C(=O)N[C@H]1CCCNC(=O)[C@@H](NC(=O)[C@@H](N(C1=O)C)C(C)C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Zheng, Jinkai; Xu, Zhihong; Wang, Yi; Hong, Kui; Liu, Peipei; Zhu, Weiming Cyclic tripeptides from the halotolerant fungus Aspergillus sclerotiorum PT06-1 Journal of Natural Products 2010 73 (6) 1133-1137.
DOI	10.1021/np100198h	PMID	20503985

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Eurotiomycetes	MycoBank	147545
Order	Eurotiales	MycoBank	5042
Family	Aspergillaceae	MycoBank	1131492
Genus	Aspergillus	MycoBank	5052

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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