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Compounds

COMPOUND NPA021689

STRUCTURE

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PROPERTIES

NPAID	NPA021689
CLUSTER ID	3904
NODE ID	2917
NAME	4'-acetylchrysomycin B
FORMULA	C29H30O10
MOLECULAR WEIGHT (Da)	538.5490
ACCURATE MASS (Da)	538.1839
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Unknown-bacterium
ORIGIN SPECIES	sp.
InChIKey	MOICNMDKCPHILF-AQGXNSSESA-N
InChI	InChI=1S/C29H30O10/c1-12-9-17-21(19(10-12)35-5)16-11-20(36-6)23-18(31)8-7-15(22(23)24(16)39-28(17)33)25-26(32)29(4,34)27(13(2)37-25)38-14(3)30/h7-11,13,25-27,31-32,34H,1-6H3/t13-,25+,26+,27+,29+/m1/s1
SMILES	C[C@@H]1[C@@H]([C@@]([C@H]([C@@H](O1)C2=C3C(=C(C=C2)O)C(=CC4=C3OC(=O)C5=CC(=CC(=C54)OC)C)OC)O)(C)O)OC(=O)C

ORIGINAL ISOLATION REFERENCE

CITATION	Wada, Shun-Ichi; Sawa, Ryuichi; Iwanami, Fumiki; Nagayoshi, Miho; Kubota, Yumiko; Iijima, Kiyoko; Hayashi, Chigusa; Shibuya, Yuko; Hatano, Masaki; Igarashi, Masayuki; Kawada, Manabu Structures and biological activities of novel 4'-acetylated analogs of chrysomycins A and B Journal of Antibiotics 2017 70 (11) 1078-1082.
DOI	10.1038/ja.2017.99	PMID	28874850

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Genus	Unknown-bacterium	LPSN	-

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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