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Compounds

COMPOUND NPA021285

STRUCTURE

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PROPERTIES

NPAID	NPA021285
CLUSTER ID	46
NODE ID	11
NAME	Obelmycin B
FORMULA	C60H88N2O21
MOLECULAR WEIGHT (Da)	1173.3570
ACCURATE MASS (Da)	1172.5880
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	violaceus
InChIKey	QGMYQBMNNRNDNB-LOZFVSBLSA-N
InChI	InChI=1S/C60H88N2O21/c1-12-60(71)25-40(80-45-23-32(61(8)9)57(30(6)76-45)81-43-21-17-38(28(4)74-43)78-41-19-15-34(63)26(2)72-41)49-52(56(70)51-50(55(49)69)53(67)47-36(65)13-14-37(66)48(47)54(51)68)59(60)83-46-24-33(62(10)11)58(31(7)77-46)82-44-22-18-39(29(5)75-44)79-42-20-16-35(64)27(3)73-42/h13-14,26-35,38-46,57-59,63-66,69-71H,12,15-25H2,1-11H3/t26-,27-,28+,29-,30-,31-,32+,33-,34+,35+,38+,39+,40+,41+,42+,43+,44+,45+,46+,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]9CC[C@@H]([C@@H](O9)C)O[C@H]1CC[C@@H]([C@H](O1)C)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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