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Compounds

COMPOUND NPA031339

STRUCTURE

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PROPERTIES

NPAID	NPA031339
CLUSTER ID	9122
NODE ID	6129
NAME	Erythrazole A
FORMULA	C31H42N2O7S
MOLECULAR WEIGHT (Da)	586.7510
ACCURATE MASS (Da)	586.2713
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Erythrobacter
ORIGIN SPECIES	sp. SNB-035
InChIKey	BWBXJAHQKZPMSE-GYDVHWSXSA-N
InChI	InChI=1S/C31H42N2O7S/c1-19(9-6-10-20(2)13-8-14-22(4)31(38)39)11-7-12-21(3)15-16-23-27(36)25(40-5)17-24-28(23)41-30(33-24)29(37)32-18-26(34)35/h10-11,15,17,22,36H,6-9,12-14,16,18H2,1-5H3,(H,32,37)(H,34,35)(H,38,39)/b19-11+,20-10+,21-15+
SMILES	COC1=C(O)C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCCC(C)C(=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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