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Compounds

COMPOUND NPA009999

STRUCTURE

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PROPERTIES

NPAID	NPA009999
CLUSTER ID	83
NODE ID	78
NAME	Graphiumin B
FORMULA	C34H44N2O10S4
MOLECULAR WEIGHT (Da)	768.9980
ACCURATE MASS (Da)	768.1879
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Graphium
ORIGIN SPECIES	sp. OPMF00224
InChIKey	PKQAJSOEDAWFIE-SJQRTZAESA-N
InChI	InChI=1S/C34H44N2O10S4/c1-3-5-7-9-23(37)15-27(39)45-25-11-13-43-19-21-17-33-32(42)36-30-22(18-34(36,48-50-49-47-33)31(41)35(33)29(21)25)20-44-14-12-26(30)46-28(40)16-24(38)10-8-6-4-2/h11-14,19-20,23-26,29-30,37-38H,3-10,15-18H2,1-2H3/t23-,24-,25-,26-,29-,30-,33+,34+/m0/s1
SMILES	CCCCC[C@@H](CC(=O)O[C@H]1C=COC=C2[C@@H]1N3C(=O)[C@]45CC6=COC=C[C@@H]([C@H]6N4C(=O)[C@@]3(C2)SSSS5)OC(=O)C[C@H](CCCCC)O)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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