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Compounds

COMPOUND NPA001398

STRUCTURE

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PROPERTIES

NPAID	NPA001398
CLUSTER ID	916
NODE ID	793
NAME	Pyrroindomycin B
FORMULA	C60H79ClN4O15
MOLECULAR WEIGHT (Da)	1131.7580
ACCURATE MASS (Da)	1130.5230
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	rugosporus sp. LL-42D005
InChIKey	MFRCAKSQJAQFFR-LLICMZCZSA-N
InChI	InChI=1S/C60H79ClN4O15/c1-9-31-23-57(6)24-37(55(70)71)27(2)60(26-57)51(68)48(54(69)65-60)50(67)59(8)32(19-41(31)66)13-15-34-38(59)11-10-12-43(34)78-45-18-17-42(28(3)74-45)77-47-25-58(7,73)52(30(5)76-47)80-46-22-44(49(62)29(4)75-46)79-56(72)40-21-36-35-20-33(61)14-16-39(35)63-53(36)64-40/h13-16,20-21,24,27-32,34,38,41-47,49,52,63-64,66-67,73H,9-12,17-19,22-23,25-26,62H2,1-8H3,(H,65,69)(H,70,71)/t27?,28-,29+,30+,31?,32?,34?,38?,41?,42-,43?,44+,45+,46-,47-,49-,52+,57?,58-,59?,60?/m0/s1
SMILES	CCC1CC2(CC3(C(C(=C2)C(=O)O)C)C(=O)C(=C(C4(C5CCCC(C5C=CC4CC1O)O[C@@H]6CC[C@@H]([C@@H](O6)C)O[C@H]7C[C@]([C@@H]([C@H](O7)C)O[C@H]8C[C@H]([C@H]([C@H](O8)C)N)OC(=O)C9=CC1=C(N9)NC2=C1C=C(C=C2)Cl)(C)O)C)O)C(=O)N3)C

ORIGINAL ISOLATION REFERENCE

CITATION	Ding; Williams; Northcote; Siegel; Tsao; Ashcroft; Morton; Alluri; Abbanat; Maiese; Ellestad Pyrroindomycins, novel antibiotics produced by Streptomyces rugosporus sp. LL-42D005 I. Isolation and structure determination Journal of Antibiotics 1994 47 (11) 1250-1257.
DOI	10.7164/antibiotics.47.1250	PMID	8002387

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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