CHEBI:37394 - podorhizol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name podorhizol
ChEBI ID CHEBI:37394
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C22H24O8
Net Charge 0
Average Mass 416.42116
Monoisotopic Mass 416.14712
InChI InChI=1S/C22H24O8/c1-25-17-8-13(9-18(26-2)21(17)27-3)20(23)19-14(10-28-22(19)24)6-12-4-5-15-16(7-12)30-11-29-15/h4-5,7-9,14,19-20,23H,6,10-11H2,1-3H3/t14-,19-,20+/m0/s1
InChIKey UNWCWBJEKCTIML-PNHOKKKMSA-N
SMILES [H][C@]1([C@H](COC1=O)Cc1ccc2OCOc2c1)[C@H](O)c1cc(OC)c(OC)c(OC)c1
ChEBI Ontology
Outgoing podorhizol (CHEBI:37394) has functional parent γ-butyrolactone (CHEBI:42639)
podorhizol (CHEBI:37394) is a γ-lactone (CHEBI:37581)
podorhizol (CHEBI:37394) is a aromatic ether (CHEBI:35618)
podorhizol (CHEBI:37394) is a benzodioxoles (CHEBI:38298)
podorhizol (CHEBI:37394) is a benzyl alcohols (CHEBI:22743)
podorhizol (CHEBI:37394) is a secondary alcohol (CHEBI:35681)
Incoming podorhizol β-D-glucoside (CHEBI:27901) has functional parent podorhizol (CHEBI:37394)
IUPAC Name
(3S,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(S)-hydroxy(3,4,5-trimethoxyphenyl)methyl]dihydrofuran-2(3H)-one
Registry Number Type Source
59366-91-5 CAS Registry Number ChemIDplus
Last Modified
21 January 2015