CHEBI:218899 - 1,4-diphenyl-2,3-butanediol

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 1,4-diphenyl-2,3-butanediol
ChEBI ID CHEBI:218899
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H18O2
Net Charge 0
Average Mass 242.318
Monoisotopic Mass 242.13068
InChI InChI=1S/C16H18O2/c17-15(11-13-7-3-1-4-8-13)16(18)12-14-9-5-2-6-10-14/h1-10,15-18H,11-12H2/t15-,16-/m0/s1
InChIKey JCMRRROPOPSQLE-HOTGVXAUSA-N
SMILES O[C@H]([C@@H](O)CC1=CC=CC=C1)CC2=CC=CC=C2
Metabolite of Species Details
Gordoniaspecies 647W.R.1a.05 (NCBI:txid1331488) See: PubMed
ChEBI Ontology
Outgoing 1,4-diphenyl-2,3-butanediol (CHEBI:218899) is a phenylpropanoid (CHEBI:26004)
IUPAC Name
(2S,3S)-1,4-diphenylbutane-2,3-diol