CHEBI:168678 - {[(2E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-yl]oxy}sulfonic acid

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ChEBI Name {[(2E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-yl]oxy}sulfonic acid
ChEBI ID CHEBI:168678
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H16O5S
Net Charge 0
Average Mass 320.360
Monoisotopic Mass 320.07184
InChI InChI=1S/C16H16O5S/c1-20-15-10-8-14(9-11-15)16(21-22(17,18)19)12-7-13-5-3-2-4-6-13/h2-12,16H,1H3,(H,17,18,19)/b12-7+
InChIKey DMISHEXUOBSJSL-KPKJPENVSA-N
SMILES S(OC(C1=CC=C(OC)C=C1)/C=C/C2=CC=CC=C2)(O)(=O)=O
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing {[(2E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-yl]oxy}sulfonic acid (CHEBI:168678) is a aromatic compound (CHEBI:33655)
IUPAC Name
[(E)-1-(4-methoxyphenyl)-3-phenylprop-2-enyl] hydrogen sulate
Manual Xrefs Databases
74853899 ChemSpider
HMDB0135631 HMDB
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