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Compounds

COMPOUND NPA004386

STRUCTURE

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PROPERTIES

NPAID	NPA004386
CLUSTER ID	806
NODE ID	699
NAME	Trioxacarcin E
FORMULA	C34H44O18
MOLECULAR WEIGHT (Da)	740.7080
ACCURATE MASS (Da)	740.2528
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	sp isolate B8652
InChIKey	CQPUGZMZSAGHEF-LHMOPZDRSA-N
InChI	InChI=1S/C34H44O18/c1-12-8-15-20(27-19(12)25(40)29-33(43,51-27)32(42,11-35)34(44,52-29)30(46-6)47-7)24(39)22-21(26(15)45-5)17(9-16(37)23(22)38)50-18-10-31(4,41)28(13(2)48-18)49-14(3)36/h8,13,16-18,25,28-30,35,37,39-44H,9-11H2,1-7H3/t13?,16-,17-,18?,25-,28?,29-,31?,32-,33+,34-/m0/s1
SMILES	CC1C(C(CC(O1)O[C@H]2C[C@@H](C(=O)C3=C(C4=C5C(=C(C=C4C(=C23)OC)C)[C@@H]([C@H]6[C@@](O5)([C@]([C@@](O6)(C(OC)OC)O)(CO)O)O)O)O)O)(C)O)OC(=O)C

ORIGINAL ISOLATION REFERENCE

CITATION	Maskey, Rajendra P.; Helmke, Elisabeth; Kayser, Oliver; Fiebig, Heinz H.; Maier, Armin; Busche, Andreas; Laatsch, Hartmut Anti-cancer and antibacterial trioxacarcins with high anti-malaria activity from a marine streptomycete and their absolute stereochemistry Journal of Antibiotics 2004 57 (12) 771-779.
DOI	10.7164/antibiotics.57.771	PMID	15745111

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Actinobacteria	LPSN	201174
Class	Actinobacteria	LPSN	-
Order	Streptomycetales	LPSN	85011
Family	Streptomycetaceae	LPSN	2062
Genus	Streptomyces	LPSN	1883

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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