CHEBI:209280 - (S)-2-methyl-2,3-dihydrobenzofuran-4-carboxylic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 (S)-2-methyl-2,3-dihydrobenzofuran-4-carboxylic acid
ChEBI ID CHEBI:209280
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C10H10O3
Net Charge 0
Average Mass 178.187
Monoisotopic Mass 178.06299
InChI InChI=1S/C10H10O3/c1-6-5-8-7(10(11)12)3-2-4-9(8)13-6/h2-4,6H,5H2,1H3,(H,11,12)/t6-/m0/s1
InChIKey ANPLWMFQFPHIRG-LURJTMIESA-N
SMILES O=C(O)C1=C2C(O[C@H](C2)C)=CC=C1
ChEBI Ontology
Outgoing (S)-2-methyl-2,3-dihydrobenzofuran-4-carboxylic acid (CHEBI:209280) is a 1-benzofurans (CHEBI:38830)
IUPAC Name
(2S)-2-methyl-2,3-dihydro-1-benzouran-4-carboxylic acid
Manual Xref Database
78443517 ChemSpider
View more database links