aladorian sodium (CHEBI:751610)

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CHEBI:751610 - aladorian sodium

Formula	Na.C12H12NO4S
Net Charge	0
Average Mass	289.288
Monoisotopic Mass	289.03847
SMILES	COc1ccc2c(c1)CN(C(=O)C(=O)[O-])CCS2.[Na+]
InChI	InChI=1S/C12H13NO4S.Na/c1-17-9-2-3-10-8(6-9)7-13(4-5-18-10)11(14)12(15)16;/h2-3,6H,4-5,7H2,1H3,(H,15,16);/q;+1/p-1
InChIKey	OUNBYSZUAWDKLT-UHFFFAOYSA-M

ChEBI Ontology

Outgoing Relation(s)
	aladorian sodium (CHEBI:751610) is a benzothiazepine (CHEBI:48684)