CHEBI:180702 - [6-hydroxy-2-methoxy-3-(3-phenylprop-2-en-1-yl)phenyl]oxidanesulfonic acid

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ChEBI Name [6-hydroxy-2-methoxy-3-(3-phenylprop-2-en-1-yl)phenyl]oxidanesulfonic acid
ChEBI ID CHEBI:180702
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H16O6S
Net Charge 0
Average Mass 336.360
Monoisotopic Mass 336.06676
InChI InChI=1S/C16H16O6S/c1-21-15-13(9-5-8-12-6-3-2-4-7-12)10-11-14(17)16(15)22-23(18,19)20/h2-8,10-11,17H,9H2,1H3,(H,18,19,20)/b8-5+
InChIKey YQNUPNWAJIQBFJ-VMPITWQZSA-N
SMILES S(OC=1C(OC)=C(C/C=C/C2=CC=CC=C2)C=CC1O)(O)(=O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133). See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133). See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133). See: MetaboLights Study
ChEBI Ontology
Outgoing [6-hydroxy-2-methoxy-3-(3-phenylprop-2-en-1-yl)phenyl]oxidanesulfonic acid (CHEBI:180702) is a phenols (CHEBI:33853)
IUPAC Name
[6-hydroxy-2-methoxy-3-[(E)-3-phenylprop-2-enyl]phenyl] hydrogen sulate
Manual Xrefs Databases
74852838 ChemSpider
HMDB0130346 HMDB
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