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Compounds

COMPOUND NPA006495

STRUCTURE

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PROPERTIES

NPAID	NPA006495
CLUSTER ID	83
NODE ID	78
NAME	Graphiumin E
FORMULA	C31H38N2O9S2
MOLECULAR WEIGHT (Da)	646.7840
ACCURATE MASS (Da)	646.2019
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Graphium
ORIGIN SPECIES	sp. OPMF00224
InChIKey	DYJYWYZAWBZTMQ-UBWFRMKNSA-N
InChI	InChI=1S/C31H38N2O9S2/c1-7-16(2)25(35)17(3)26(36)18(4)27(37)42-22-9-11-41-15-20-13-31(44-6)28(38)32-23-19(14-40-10-8-21(23)34)12-30(32,43-5)29(39)33(31)24(20)22/h7-11,14-15,17-18,21-24,26,34,36H,12-13H2,1-6H3/b16-7+/t17?,18?,21-,22-,23-,24-,26?,30+,31+/m0/s1
SMILES	C/C=C(\C)/C(=O)C(C)C(C(C)C(=O)O[C@H]1C=COC=C2[C@@H]1N3C(=O)[C@@]4(CC5=COC=C[C@@H]([C@H]5N4C(=O)[C@@]3(C2)SC)O)SC)O

ORIGINAL ISOLATION REFERENCE

CITATION	Fukuda, Takashi; Shinkai, Minori; Sasaki, Eri; Nagai, Kenichiro; Kurihara, Yuko; Kanamoto, Akihiko; Tomoda, Hiroshi Graphiumins, new thiodiketopiperazines from the marine-derived fungus Graphium sp. OPMF00224 Journal of Antibiotics 2015 68 (10) 620-627.
DOI	10.1038/ja.2015.41	PMID	25899125

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Sordariomycetes	MycoBank	147550
Order	Microascales	MycoBank	5592
Family	Microascaceae	MycoBank	5593
Genus	Graphium	MycoBank	1503932

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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