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Compounds

COMPOUND NPA006486

STRUCTURE

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PROPERTIES

NPAID	NPA006486
CLUSTER ID	2632
NODE ID	2047
NAME	Dolabellin
FORMULA	C24H32Cl2N2O8S2
MOLECULAR WEIGHT (Da)	611.5660
ACCURATE MASS (Da)	610.0977
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Cyanobacterium
ORIGIN SPECIES	sp.
InChIKey	JHKFWJUVTLNOJZ-ZSGPHXLJSA-N
InChI	InChI=1S/C24H32Cl2N2O8S2/c1-12(2)18(20-28-14(10-38-20)22(32)34-5)36-21(31)13(3)17(7-6-8-24(4,25)26)35-23(33)15-11-37-19(27-15)16(30)9-29/h10-13,16-18,29-30H,6-9H2,1-5H3/t13-,16-,17+,18+/m1/s1
SMILES	C[C@H]([C@H](CCCC(C)(Cl)Cl)OC(=O)C1=CSC(=N1)[C@@H](CO)O)C(=O)O[C@H](C2=NC(=CS2)C(=O)OC)C(C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Sone, Hiroki; Kondo, Takashi; Kiryu, Minoru; Ishiwata, Hiroyuki; Ojika, Makoto; Yamada, Kiyoyuki Dolabellin, a cytotoxic bisthiazole metabolite from the sea hare Dolabella auricularia: Structural determination and synthesis Journal of Organic Chemistry 1995 60 (15) 4774-4781.
DOI	10.1021/jo00120a021	PMID	-

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Cyanobacteria	LPSN	1117
Class	Cyanophyceae	LPSN	-
Order	Chroococcales	LPSN	1118
Family	Cyanobacteriaceae	LPSN	-
Genus	Cyanobacterium	LPSN	102234

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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