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Compounds

COMPOUND NPA022831

STRUCTURE

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PROPERTIES

NPAID	NPA022831
CLUSTER ID	26
NODE ID	25
NAME	Albucyclone D
FORMULA	C56H81N11O11
MOLECULAR WEIGHT (Da)	1084.3300
ACCURATE MASS (Da)	1083.6117
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	sp. JAMM992
InChIKey	NXLVIGFJYYFZHW-UZMBYSQTSA-N
InChI	InChI=1S/C56H81N11O11/c1-13-32(10)46-56(78)61-37(21-17-18-22-59-49(71)36-27-58-26-35-42(36)41(68)25-38(57-12)47(35)69)50(72)65-44(30(6)7)54(76)63-40(24-34-19-15-14-16-20-34)51(73)62-39(23-28(2)3)52(74)66-43(29(4)5)53(75)60-33(11)48(70)64-45(31(8)9)55(77)67-46/h14-16,19-20,25-33,37,39-40,43-46,57H,13,17-18,21-24H2,1-12H3,(H,59,71)(H,60,75)(H,61,78)(H,62,73)(H,63,76)(H,64,70)(H,65,72)(H,66,74)(H,67,77)/t32-,33-,37+,39-,40-,43+,44+,45+,46-/m1/s1
SMILES	CC[C@@H](C)[C@@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)C(C)C)C)C(C)C)CC(C)C)CC2=CC=CC=C2)C(C)C)CCCCNC(=O)C3=C4C(=O)C=C(C(=O)C4=CN=C3)NC

ORIGINAL ISOLATION REFERENCE

CITATION	Xu, Fei; Nazari, Behnam; Moon, Kyuho; Bushin, Leah B.; Seyedsayamdost, Mohammad R. Discovery of a Cryptic Antifungal Compound from Streptomyces albus J1074 Using High-Throughput Elicitor Screens Journal of the American Chemical Society 2017 139 (27) 9203-9212.
DOI	10.1021/jacs.7b02716	PMID	28590725

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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