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CHEBI:201429 - Lignosulfonic acid sodium salt

ChEBI IDCHEBI:201429
ChEBI NameLignosulfonic acid sodium salt
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SubmitterMetaboLights
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FormulaC20H24O10S2.2Na
Net Charge0
Average Mass534.516
Monoisotopic Mass534.06063
SMILESCOc1cc(CCCS(=O)(=O)[O-])ccc1O[C@@H](Cc1cccc(OC)c1O)CS(=O)(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C20H26O10S2.2Na/c1-28-18-7-3-6-15(20(18)21)12-16(13-32(25,26)27)30-17-9-8-14(11-19(17)29-2)5-4-10-31(22,23)24;;/h3,6-9,11,16,21H,4-5,10,12-13H2,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2/t16-;;/m0../s1
InChIKeyYDEXUEFDPVHGHE-SQKCAUCHSA-L
ChEBI Ontology
Outgoing Relation(s)
Lignosulfonic acid sodium salt (CHEBI:201429) is a phenylpropanoid (CHEBI:26004)
IUPAC Name 
disodium;(2R)-3-(2-hydroxy-3-methoxyphenyl)-2-[2-methoxy-4-(3-sulonatopropyl)phenoxy]propane-1-sulonate
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78432514ChemSpider