CHEBI:169179 - [(7-hydroxy-1-oxo-1H-isochromen-3-yl)methoxy]sulfonic acid

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ChEBI Name [(7-hydroxy-1-oxo-1H-isochromen-3-yl)methoxy]sulfonic acid
ChEBI ID CHEBI:169179
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 C10H8O7S
Net Charge 0
Average Mass 272.230
Monoisotopic Mass 271.99907
InChI InChI=1S/C10H8O7S/c11-7-2-1-6-3-8(5-16-18(13,14)15)17-10(12)9(6)4-7/h1-4,11H,5H2,(H,13,14,15)
InChIKey JHKOBOYRVHYLND-UHFFFAOYSA-N
SMILES S(OCC=1OC(=O)C2=C(C1)C=CC(O)=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 [(7-hydroxy-1-oxo-1H-isochromen-3-yl)methoxy]sulfonic acid (CHEBI:169179) is a isocoumarins (CHEBI:38758)
IUPAC Name
(7-hydroxy-1-oxoisochromen-3-yl)methyl hydrogen sulate
Manual Xrefs Databases
74852285 ChemSpider
HMDB0128634 HMDB
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