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CHEBI:37394 - podorhizol

ChEBI IDCHEBI:37394
ChEBI Namepodorhizol
Stars
Last Modified21 January 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC22H24O8
Net Charge0
Average Mass416.426
Monoisotopic Mass416.14712
SMILES[H][C@]1([C@H](O)c2cc(OC)c(OC)c(OC)c2)C(=O)OC[C@@H]1Cc1ccc2c(c1)OCO2
InChIInChI=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
InChIKeyUNWCWBJEKCTIML-PNHOKKKMSA-N
ChEBI Ontology
Outgoing Relation(s)
podorhizol (CHEBI:37394) has functional parent γ-butyrolactone (CHEBI:42639)
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)
podorhizol (CHEBI:37394) is a γ-lactone (CHEBI:37581)
Incoming Relation(s)
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 NumbersSources
CAS:59366-91-5ChemIDplus