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Compounds

COMPOUND NPA024184

STRUCTURE

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PROPERTIES

NPAID	NPA024184
CLUSTER ID	1239
NODE ID	1050
NAME	9-O-methyl-ansacarbamitocin A1
FORMULA	C39H53ClN4O15
MOLECULAR WEIGHT (Da)	853.3190
ACCURATE MASS (Da)	852.3196
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Amycolatopsis
ORIGIN SPECIES	alba DSM 44262
InChIKey	XGJBXEIKJILUEY-FHTWPXSCSA-N
InChI	InChI=1S/C39H53ClN4O15/c1-19-10-9-11-29(52-6)39(54-8)17-27(58-38(51)43-39)21(3)13-20(2)26(57-37(50)42-5)16-30(47)44(24-14-23(12-19)15-25(46)31(24)40)35-32(48)34(53-7)33(59-36(41)49)28(56-35)18-55-22(4)45/h9-11,13-15,21,26-29,32-35,46,48H,12,16-18H2,1-8H3,(H2,41,49)(H,42,50)(H,43,51)/b11-9+,19-10+,20-13+/t21-,26?,27-,28+,29+,32+,33+,34+,35+,39-/m0/s1
SMILES	C[C@H]1/C=C(/C(CC(=O)N(C2=C(C(=CC(=C2)C/C(=C/C=C/[C@H]([C@]3(C[C@@H]1OC(=O)N3)OC)OC)/C)O)Cl)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C)OC(=O)N)OC)O)OC(=O)NC)\C

ORIGINAL ISOLATION REFERENCE

CITATION	Li, Xiao-Mei; Li, Xiao-Man; Lu, Chun-Hua Abscisic acid-type sesquiterpenes and ansamycins from Amycolatopsis alba DSM 44262 Journal of Asian Natural Products Research 2017 19 (10) 946-953.
DOI	10.1080/10286020.2017.1285909	PMID	28276761

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Actinobacteria	LPSN	201174
Class	Actinobacteria	LPSN	-
Order	Pseudonocardiales	LPSN	85010
Family	Pseudonocardiaceae	LPSN	2070
Genus	Amycolatopsis	LPSN	1813

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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