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Compounds

COMPOUND NPA024896

STRUCTURE

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PROPERTIES

NPAID	NPA024896
CLUSTER ID	1025
NODE ID	883
NAME	Quinomycin J
FORMULA	C55H72N12O13S2
MOLECULAR WEIGHT (Da)	1173.3860
ACCURATE MASS (Da)	1172.4783
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	sp. HCCB11876
InChIKey	CZIPFEYBDNNFQN-VAVLPFJMSA-N
InChI	InChI=1S/C55H72N12O13S2/c1-27(2)29(5)42-53(76)79-24-40(63-46(69)38-23-57-34-19-15-17-21-36(34)61-38)48(71)59-32(8)50(73)67(12)44-52(75)66(11)43(30(6)28(3)4)54(77)80-25-39(62-45(68)37-22-56-33-18-14-16-20-35(33)60-37)47(70)58-31(7)49(72)64(9)41(51(74)65(42)10)26-82(78)55(44)81-13/h14-23,27-32,39-44,55H,24-26H2,1-13H3,(H,58,70)(H,59,71)(H,62,68)(H,63,69)/t29-,30-,31-,32-,39+,40+,41-,42-,43-,44+,55?,82?/m0/s1
SMILES	C[C@H]1C(=O)N([C@H]2CS(=O)C([C@@H](C(=O)N([C@H](C(=O)OC[C@H](C(=O)N1)NC(=O)C3=NC4=CC=CC=C4N=C3)[C@@H](C)C(C)C)C)N(C(=O)[C@@H](NC(=O)[C@@H](COC(=O)[C@@H](N(C2=O)C)[C@@H](C)C(C)C)NC(=O)C5=NC6=CC=CC=C6N=C5)C)C)SC)C

ORIGINAL ISOLATION REFERENCE

CITATION	Yang Z; Shao L; Wang M; Rao M; Ge M; Xu Y Two novel quinomycins discovered by UPLC-MS from Streptomyces sp. HCCB11876. Journal of Antibiotics 2019 72 (3) 164-168.
DOI	10.1038/s41429-018-0132-1	PMID	30560938

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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