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CHEBI:38740 - isoflavan

ChEBI IDCHEBI:38740
ChEBI Nameisoflavan
Stars
DefinitionThe simplest member of the class of isoflavans that is chromane substituted by a phenyl substituent at position 3.
Secondary ChEBI IDsCHEBI:24891, CHEBI:36098
Last Modified23 June 2015
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC15H14O
Net Charge0
Average Mass210.276
Monoisotopic Mass210.10447
SMILESc1ccc(C2COc3ccccc3C2)cc1
InChIInChI=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
InChIKeyNNQSGBRGJHSRFN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
isoflavan (CHEBI:38740) is a isoflavans (CHEBI:72572)
Incoming Relation(s)
lotisoflavan (CHEBI:6543) has functional parent isoflavan (CHEBI:38740)
4',7-dimethoxy-2,2,4-trimethyl-Δ3-isoflavan (CHEBI:79580) has parent hydride isoflavan (CHEBI:38740)
(R)-isoflavan (CHEBI:36101) is a isoflavan (CHEBI:38740)
(S)-isoflavan (CHEBI:36100) is a isoflavan (CHEBI:38740)
IUPAC Name 
3-phenylchromane
Synonym  Source
isoflavanIUPAC
Registry NumbersSources
Beilstein:152871Beilstein