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Compounds

COMPOUND NPA021284

STRUCTURE

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PROPERTIES

NPAID	NPA021284
CLUSTER ID	46
NODE ID	11
NAME	Obelmycin C
FORMULA	C60H88N2O22
MOLECULAR WEIGHT (Da)	1189.3560
ACCURATE MASS (Da)	1188.5829
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	violaceus
InChIKey	GTVYNXUSLXVORL-PFKASXCOSA-N
InChI	InChI=1S/C60H88N2O22/c1-12-60(72)24-39(80-43-21-31(61(8)9)57(29(6)76-43)83-45-23-37(67)58(30(7)78-45)82-41-19-16-34(64)26(3)74-41)48-51(55(71)50-49(54(48)70)52(68)46-35(65)13-14-36(66)47(46)53(50)69)59(60)84-44-22-32(62(10)11)56(28(5)77-44)81-42-20-17-38(27(4)75-42)79-40-18-15-33(63)25(2)73-40/h13-14,25-34,37-45,56-59,63-67,70-72H,12,15-24H2,1-11H3/t25-,26+,27-,28-,29-,30-,31+,32+,33+,34+,37-,38+,39+,40+,41+,42+,43-,44+,45+,56-,57+,58+,59-,60-/m1/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]6CC[C@@H]([C@H](O6)C)O)N(C)C)O)C(=O)C7=C(C=CC(=C7C3=O)O)O)O)O[C@@H]8C[C@@H]([C@H]([C@H](O8)C)O[C@H]9C[C@H]([C@H]([C@H](O9)C)O[C@H]1CC[C@@H]([C@@H](O1)C)O)O)N(C)C)O

ORIGINAL ISOLATION REFERENCE

CITATION	Johdo O; Ishikura T; Yoshimoto A; Takeuchi T Anthracycline metabolites from Streptomyces violaceus A262. I. Isolation of antibiotic-blocked mutants from Streptomyces violaceus A262. Journal of Antibiotics 1991 44 (10) 1110-1120.
DOI	10.7164/antibiotics.44.1110	PMID	1955394

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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