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Compounds

COMPOUND NPA031340

STRUCTURE

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PROPERTIES

NPAID	NPA031340
CLUSTER ID	9122
NODE ID	6129
NAME	Erythrazole B
FORMULA	C33H44N2O7S
MOLECULAR WEIGHT (Da)	612.7890
ACCURATE MASS (Da)	612.2869
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Erythrobacter
ORIGIN SPECIES	sp. SNB-035
InChIKey	ZYIFWTDXOSUKLM-QFIYVEOGSA-N
InChI	InChI=1S/C33H44N2O7S/c1-21(9-6-10-22(2)12-8-14-24(4)16-18-28(36)37)11-7-13-23(3)15-17-25-30(40)27(42-5)19-26-31(25)43-33(35-26)32(41)34-20-29(38)39/h10-11,15-16,19,40H,6-9,12-14,17-18,20H2,1-5H3,(H,34,41)(H,36,37)(H,38,39)/b21-11+,22-10+,23-15+,24-16-
SMILES	COC1=C(O)C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC/C(C)=C\CC(=O)O)=C2SC(C(=O)NCC(=O)O)=NC2=C1

ORIGINAL ISOLATION REFERENCE

CITATION	Youcai Hu and John B. MacMillan Erythrazoles A–B, Cytotoxic Benzothiazoles from a Marine-Derived Erythrobacter sp. Organic Letters 2011 13 (24) 6580-6583.
DOI	10.1021/ol202944g	PMID	-

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Proteobacteria	LPSN	1224
Class	Alphaproteobacteria	LPSN	28211
Order	Sphingomonadales	LPSN	204457
Family	Erythrobacteraceae	LPSN	335929
Genus	Erythrobacter	LPSN	1041

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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