CHEBI:169815 - [1-(7-methoxy-2-oxo-2H-chromen-6-yl)-3-oxobutoxy]sulfonic acid

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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 [1-(7-methoxy-2-oxo-2H-chromen-6-yl)-3-oxobutoxy]sulfonic acid
ChEBI ID CHEBI:169815
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C14H14O8S
Net Charge 0
Average Mass 342.320
Monoisotopic Mass 342.04094
InChI InChI=1S/C14H14O8S/c1-8(15)5-13(22-23(17,18)19)10-6-9-3-4-14(16)21-11(9)7-12(10)20-2/h3-4,6-7,13H,5H2,1-2H3,(H,17,18,19)
InChIKey RAZXYNKESCFHRU-UHFFFAOYSA-N
SMILES S(OC(C1=C(OC)C=C2OC(=O)C=CC2=C1)CC(=O)C)(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 [1-(7-methoxy-2-oxo-2H-chromen-6-yl)-3-oxobutoxy]sulfonic acid (CHEBI:169815) is a coumarins (CHEBI:23403)
IUPAC Name
[1-(7-methoxy-2-oxochromen-6-yl)-3-oxobutyl] hydrogen sulate
Manual Xrefs Databases
74852405 ChemSpider
HMDB0128976 HMDB
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