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Compounds

COMPOUND NPA020942

STRUCTURE

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PROPERTIES

NPAID	NPA020942
CLUSTER ID	46
NODE ID	11
NAME	Ditrisarubicin C
FORMULA	C60H80N2O21
MOLECULAR WEIGHT (Da)	1165.2930
ACCURATE MASS (Da)	1164.5254
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	cyaneus MG344-hF49
InChIKey	SGOOJJACKKMDRV-TZGGBZGSSA-N
InChI	InChI=1S/C60H80N2O21/c1-12-60(70)24-40(79-43-20-32(61(8)9)56(29(6)73-43)81-45-23-38-57(30(7)75-45)83-59-39(77-38)22-36(65)26(3)76-59)47-50(54(69)48-49(53(47)68)52(67)46-31(51(48)66)14-13-15-35(46)64)58(60)82-44-21-33(62(10)11)55(28(5)74-44)80-42-19-17-37(27(4)72-42)78-41-18-16-34(63)25(2)71-41/h13-16,18,25-30,32-33,37-45,55-59,64,68-70H,12,17,19-24H2,1-11H3/t25-,26-,27+,28+,29-,30-,32+,33-,37-,38-,39-,40+,41-,42-,43+,44-,45-,55+,56-,57+,58+,59-,60-/m0/s1
SMILES	CC[C@@]1(C[C@H](C2=C(C3=C(C(=C2[C@H]1O[C@H]4C[C@@H]([C@@H]([C@H](O4)C)O[C@H]5CC[C@@H]([C@H](O5)C)O[C@H]6C=CC(=O)[C@@H](O6)C)N(C)C)O)C(=O)C7=C(C3=O)C(=CC=C7)O)O)O[C@@H]8C[C@H]([C@H]([C@@H](O8)C)O[C@H]9C[C@H]1[C@@H]([C@@H](O9)C)O[C@H]2[C@@H](O1)CC(=O)[C@@H](O2)C)N(C)C)O

ORIGINAL ISOLATION REFERENCE

CITATION	Uchida T; Imoto M; Masuda T; Imamura K; Hatori Y; Sawa T; Naganawa H; Hamada M; Takeuchi T; Umezawa H NEW ANTITUMOR ANTIBIOTICS, DITRISARUBICINS A, B AND C Journal of Antibiotics 1983 36 (8) 1080-1083.
DOI	10.7164/antibiotics.36.1080	PMID	6630060

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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