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Compounds

COMPOUND NPA033239

STRUCTURE

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PROPERTIES

NPAID	NPA033239
CLUSTER ID	46
NODE ID	11
NAME	Thioangucycline B
FORMULA	C40H36O10S
MOLECULAR WEIGHT (Da)	708.7850
ACCURATE MASS (Da)	708.2029
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	sp. CB00072
InChIKey	HKMDGBLVBSZZGX-QANDYNDUSA-N
InChI	InChI=1S/C40H36O10S/c1-39(47)13-17-11-25(31-33(27(17)21(41)15-39)35(43)19-7-5-9-23(49-3)29(19)37(31)45)51-26-12-18-14-40(2,48)16-22(42)28(18)34-32(26)38(46)30-20(36(34)44)8-6-10-24(30)50-4/h5-12,35,37-38,43,45-48H,13-16H2,1-4H3/t35-,37+,38+,39+,40+/m0/s1
SMILES	COC1=CC=CC2=C1[C@@H](O)C1=C(SC3=C4C(=C5C(=O)C[C@](C)(O)CC5=C3)[C@@H](O)C3=C(C(OC)=CC=C3)[C@H]4O)C=C3C[C@@](C)(O)CC(=O)C3=C1C2=O

ORIGINAL ISOLATION REFERENCE

CITATION	Cao, Mingming; Zheng, Chengjian; Yang, Dong; Kalkreuter, Edward; Adhikari, Ajeeth; Liu, Yu-Chen; Rateb, Mostafa E.; Shen, Ben Cryptic Sulfur Incorporation in Thioangucycline Biosynthesis Angewandte Chemie International Edition 2021 60 (13) 7140-7147.
DOI	10.1002/anie.202015570	PMID	33465268

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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