CHEBI:174634 - Dihydroferulic acid 4-sulfate

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ChEBI Name Dihydroferulic acid 4-sulfate
ChEBI ID CHEBI:174634
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C10H12O7S
Net Charge 0
Average Mass 276.260
Monoisotopic Mass 276.03037
InChI InChI=1S/C10H12O7S/c1-16-9-6-7(3-5-10(11)12)2-4-8(9)17-18(13,14)15/h2,4,6H,3,5H2,1H3,(H,11,12)(H,13,14,15)
InChIKey UMCDODPBPQMWQP-UHFFFAOYSA-N
SMILES S(OC1=C(OC)C=C(CCC(O)=O)C=C1)(O)(=O)=O
ChEBI Ontology
Outgoing Dihydroferulic acid 4-sulfate (CHEBI:174634) is a aryl sulfate (CHEBI:37919)
IUPAC Name
3-(3-methoxy-4-sulooxyphenyl)propanoic acid
Manual Xrefs Databases
162994 ChemSpider
HMDB0041724 HMDB
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Registry Number Type Source
86321-33-7 CAS Registry Number ChemIDplus