CHEBI:437678 - (S)-columbianetin

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ChEBI Name (S)-columbianetin
ChEBI ID CHEBI:437678
ChEBI ASCII Name (S)-columbianetin
Definition The (S)-(+)-enantiomer of columbianetin.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C14H14O4
Net Charge 0
Average Mass 246.25860
Monoisotopic Mass 246.08921
InChI InChI=1S/C14H14O4/c1-14(2,16)11-7-9-10(17-11)5-3-8-4-6-12(15)18-13(8)9/h3-6,11,16H,7H2,1-2H3/t11-/m0/s1
InChIKey YRAQEMCYCSSHJG-NSHDSACASA-N
SMILES [H][C@]1(Cc2c(O1)ccc1ccc(=O)oc21)C(C)(C)O
ChEBI Ontology
Outgoing (S)-columbianetin (CHEBI:437678) is a columbianetin (CHEBI:59948)
(S)-columbianetin (CHEBI:437678) is enantiomer of (R)-columbianetin (CHEBI:3828)
Incoming (R)-columbianetin (CHEBI:3828) is enantiomer of (S)-columbianetin (CHEBI:437678)
IUPAC Name
(8S)-8-(2-hydroxypropan-2-yl)-8,9-dihydro-2H-furo[2,3-h]chromen-2-one
Synonyms Sources
(+)-columbianetin ChEBI
(8S)-8,9-dihydro-8-(1-hydroxy-1-methylethyl)-2H-furo[2,3-h]1-benzopyran-2-one ChEBI
(S)-columbianetin UniProt
Registry Numbers Types Sources
17018 Beilstein Registry Number Beilstein
3804-70-4 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
16288865 PubMed citation ChEMBL
19098286 PubMed citation Europe PMC
Last Modified
22 October 2012