CHEBI:27901 - podorhizol β-D-glucoside

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name podorhizol β-D-glucoside
ChEBI ID CHEBI:27901
ChEBI ASCII Name podorhizol beta-D-glucoside
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:8282, CHEBI:26166
Supplier Information
Download Molfile XML SDF
Formula C28H34O13
Net Charge 0
Average Mass 578.56176
Monoisotopic Mass 578.19994
InChI InChI=1S/C28H34O13/c1-34-18-8-14(9-19(35-2)26(18)36-3)25(41-28-24(32)23(31)22(30)20(10-29)40-28)21-15(11-37-27(21)33)6-13-4-5-16-17(7-13)39-12-38-16/h4-5,7-9,15,20-25,28-32H,6,10-12H2,1-3H3/t15-,20+,21-,22+,23-,24+,25+,28-/m0/s1
InChIKey IETDTZKBVWFSKR-XYEVPOBGSA-N
SMILES [H][C@]1([C@H](COC1=O)Cc1ccc2OCOc2c1)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1cc(OC)c(OC)c(OC)c1
ChEBI Ontology
Outgoing podorhizol β-D-glucoside (CHEBI:27901) has functional parent podorhizol (CHEBI:37394)
podorhizol β-D-glucoside (CHEBI:27901) is a β-D-glucoside (CHEBI:22798)
podorhizol β-D-glucoside (CHEBI:27901) is a γ-lactone (CHEBI:37581)
podorhizol β-D-glucoside (CHEBI:27901) is a aromatic ether (CHEBI:35618)
podorhizol β-D-glucoside (CHEBI:27901) is a benzodioxoles (CHEBI:38298)
podorhizol β-D-glucoside (CHEBI:27901) is a benzyl alcohols (CHEBI:22743)
IUPAC Name
(S)-[(3S,4R)-4-(1,3-benzodioxol-5-ylmethyl)-2-oxotetrahydrofuran-3-yl](3,4,5-trimethoxyphenyl)methyl β-D-glucopyranoside
Synonym Source
Podorhizol beta-D-glucoside KEGG COMPOUND
Manual Xrefs Databases
C00002621 KNApSAcK
C10876 KEGG COMPOUND
View more database links
Registry Number Type Source
17187-73-4 CAS Registry Number KEGG COMPOUND
Last Modified
21 January 2015