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Compounds

COMPOUND NPA026728

STRUCTURE

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PROPERTIES

NPAID	NPA026728
CLUSTER ID	2786
NODE ID	2150
NAME	20-hydroxyrifamycin S
FORMULA	C37H45NO13
MOLECULAR WEIGHT (Da)	711.7610
ACCURATE MASS (Da)	711.2891
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Amycolatopsis
ORIGIN SPECIES	mediterranei S699
InChIKey	JNENPBGVIMPKJY-AKRCJVEDSA-N
InChI	InChI=1S/C37H45NO13/c1-16-11-10-13-36(7,47)33(44)20(5)28(41)18(3)31(50-21(6)39)17(2)24(48-9)12-14-49-37(8)34(45)27-25-23(40)15-22(38-35(16)46)30(43)26(25)29(42)19(4)32(27)51-37/h10-15,17-18,20,24,28,31,33,41-42,44,47H,1-9H3,(H,38,46)/b13-10+,14-12+,16-11+/t17-,18-,20+,24+,28+,31-,33-,36-,37+/m1/s1
SMILES	CO[C@H]1/C=C/O[C@@]2(C)OC3=C(C)C(O)=C4C(=O)C(=CC(=O)C4=C3C2=O)NC(=O)/C(C)=C/C=C/[C@@](C)(O)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C

ORIGINAL ISOLATION REFERENCE

CITATION	Shi, Yanrong; Zhang, Juanli; Tian, Xiuyu; Wu, Xingkang; Li, Tianhong; Lu, Chunhua; Shen, Yuemao Isolation of 11,12-seco-Rifamycin W Derivatives Reveals a Cleavage Pattern of the Rifamycin Ansa Chain Organic Letters 2019 21 (4) 900-903.
DOI	10.1021/acs.orglett.8b03792	PMID	30714736

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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