CHEBI:7894 - Palmarin

ChEBI IDCHEBI:7894
ChEBI NamePalmarin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H22O7
Net Charge0
Average Mass374.389
Monoisotopic Mass374.13655
SMILES[H][C@]12O[C@@]1([H])[C@H]1OC(=O)[C@]2(O)[C@]2(C)CC[C@]3([H])C(=O)O[C@@H](c4ccoc4)C[C@@]3(C)[C@]12[H]
InChIInChI=1S/C20H22O7/c1-18-7-11(9-4-6-24-8-9)25-16(21)10(18)3-5-19(2)14(18)12-13-15(26-13)20(19,23)17(22)27-12/h4,6,8,10-15,23H,3,5,7H2,1-2H3/t10-,11-,12-,13+,14+,15+,18-,19-,20+/m1/s1
InChIKeyTXOMRNMZLZXJQP-ZQTGRHRJSA-N
ChEBI Ontology
Outgoing Relation(s)
Palmarin (CHEBI:7894) is a organic heterotricyclic compound (CHEBI:26979)
Palmarin (CHEBI:7894) is a organooxygen compound (CHEBI:36963)
Synonym  Source
PalmarinKEGG COMPOUND
Manual XrefsDatabases
C09151KEGG COMPOUND
C00003463KNApSAcK
Registry NumbersSources
CAS:17226-41-4KEGG COMPOUND