CHEBI:192021 - Tectorigenin 4'-sulfate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Tectorigenin 4'-sulfate
ChEBI ID CHEBI:192021
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H12O9S
Net Charge 0
Average Mass 380.320
Monoisotopic Mass 380.02020
InChI InChI=1S/C16H12O9S/c1-23-16-11(17)6-12-13(15(16)19)14(18)10(7-24-12)8-2-4-9(5-3-8)25-26(20,21)22/h2-7,17,19H,1H3,(H,20,21,22)
InChIKey YCLRZPRGSLQMFZ-UHFFFAOYSA-N
SMILES S(OC1=CC=C(C=2C(=O)C3=C(OC2)C=C(O)C(OC)=C3O)C=C1)(O)(=O)=O
Metabolite of Species Details
Populus trichocarpa (NCBI:txid3694) Found in root (BTO:0001188). See: MetaboLights Study
ChEBI Ontology
Outgoing Tectorigenin 4'-sulfate (CHEBI:192021) is a isoflavones (CHEBI:38757)
IUPAC Name
[4-(5,7-dihydroxy-6-methoxy-4-oxochromen-3-yl)phenyl] hydrogen sulate
Manual Xrefs Databases
30777649 ChemSpider
HMDB0041777 HMDB
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