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Compounds

COMPOUND NPA034975

STRUCTURE

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PROPERTIES

NPAID	NPA034975
CLUSTER ID	10022
NODE ID	6687
NAME	Caldorazole
FORMULA	C38H51N3O3S2
MOLECULAR WEIGHT (Da)	661.9780
ACCURATE MASS (Da)	661.3372
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Caldora
ORIGIN SPECIES	sp.
InChIKey	OYFUBVBYQFMRRL-DOFRIWDKSA-N
InChI	InChI=1S/C38H51N3O3S2/c1-5-6-7-8-14-17-21-31(2)28-34-30-46-37(41-34)24-20-22-35(42)26-25-33-29-45-36(40-33)23-18-15-12-10-9-11-13-16-19-27-39-38(43)32(3)44-4/h5,8,11-16,19,28-30H,1,3,6-7,9-10,17-18,20-27H2,2,4H3,(H,39,43)/b13-11+,14-8+,15-12+,19-16+,31-28+
SMILES	C=CCC/C=C/CC/C(C)=C/C1=CSC(CCCC(=O)CCC2=CSC(CC/C=C/CC/C=C/C=C/CNC(=O)C(=C)OC)=N2)=N1

ORIGINAL ISOLATION REFERENCE

CITATION	Ohno, Osamu; Iwasaki, Arihiro; Same, Kyouhei; Kudo, Chihiro; Aida, Erika; Sugiura, Kazuya; Sumimoto, Shimpei; Teruya, Toshiaki; Tashiro, Etsu; Simizu, Siro; Matsuno, Kenji; Imoto, Masaya; Suenaga, Kiyotake Isolation of Caldorazole, a Thiazole-Containing Polyketide with Selective Cytotoxicity under Glucose-Restricted Conditions. Organic Letters 2022 24 (25) 4547-4551.
DOI	10.1021/acs.orglett.2c01566	PMID	35713373

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Cyanobacteria	LPSN	1117
Class	Cyanophyceae	LPSN	-
Order	Oscillatoriales	LPSN	1150
Family	Oscillatoriaceae	LPSN	1892254
Genus	Caldora	LPSN	1702237

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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