CHEBI:36100 - (S)-isoflavan

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (S)-isoflavan
ChEBI ID CHEBI:36100
ChEBI ASCII Name (S)-isoflavan
Definition The (S)-enantiomer of isoflavan.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C15H14O
Net Charge 0
Average Mass 210.27106
Monoisotopic Mass 210.10447
InChI InChI=1S/C15H14O/c1-2-6-12(7-3-1)14-10-13-8-4-5-9-15(13)16-11-14/h1-9,14H,10-11H2/t14-/m1/s1
InChIKey NNQSGBRGJHSRFN-CQSZACIVSA-N
SMILES C1Oc2ccccc2C[C@H]1c1ccccc1
ChEBI Ontology
Outgoing (S)-isoflavan (CHEBI:36100) is a isoflavan (CHEBI:38740)
(S)-isoflavan (CHEBI:36100) is enantiomer of (R)-isoflavan (CHEBI:36101)
Incoming (3S,4R)-4' hydroxy-6,3' dimethoxyisoflavan-4-ol (CHEBI:70191) has functional parent (S)-isoflavan (CHEBI:36100)
mucronulatol (CHEBI:7014) has functional parent (S)-isoflavan (CHEBI:36100)
(R)-isoflavan (CHEBI:36101) is enantiomer of (S)-isoflavan (CHEBI:36100)
IUPAC Name
(3S)-3-phenylchromane
Registry Numbers Types Sources
1426524 Reaxys Registry Number Reaxys
1426524 Beilstein Registry Number Beilstein
Last Modified
09 June 2015