CHEBI:175607 - 6-Gingesulfonic acid

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ChEBI Name 6-Gingesulfonic acid
ChEBI ID CHEBI:175607
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H26O6S
Net Charge 0
Average Mass 358.450
Monoisotopic Mass 358.14501
InChI InChI=1S/C17H26O6S/c1-3-4-5-6-15(24(20,21)22)12-14(18)9-7-13-8-10-16(19)17(11-13)23-2/h8,10-11,15,19H,3-7,9,12H2,1-2H3,(H,20,21,22)
InChIKey UGTSZVWDFDIWIG-UHFFFAOYSA-N
SMILES S(O)(=O)(=O)C(CCCCC)CC(=O)CCC1=CC(OC)=C(O)C=C1
ChEBI Ontology
Outgoing 6-Gingesulfonic acid (CHEBI:175607) is a methoxybenzenes (CHEBI:51683)
6-Gingesulfonic acid (CHEBI:175607) is a phenols (CHEBI:33853)
IUPAC Name
1-(4-hydroxy-3-methoxyphenyl)-3-oxodecane-5-sulonic acid
Manual Xrefs Databases
112684 ChemSpider
HMDB0038999 HMDB
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Registry Number Type Source
145937-21-9 CAS Registry Number ChemIDplus