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CHEBI:8173 - Phrymarolin I

ChEBI IDCHEBI:8173
ChEBI NamePhrymarolin I
Stars
Last Modified1 August 2018
DownloadsMolfile
FormulaC24H24O11
Net Charge0
Average Mass488.445
Monoisotopic Mass488.13186
SMILES[H][C@]12CO[C@@H](Oc3cc4c(cc3OC)OCO4)[C@@]1(OC(C)=O)CO[C@@H]2c1cc2c(cc1OC)OCO2
InChIInChI=1S/C24H24O11/c1-12(25)35-24-9-29-22(13-4-17-18(31-10-30-17)5-15(13)26-2)14(24)8-28-23(24)34-21-7-20-19(32-11-33-20)6-16(21)27-3/h4-7,14,22-23H,8-11H2,1-3H3/t14-,22-,23+,24-/m1/s1
InChIKeyZGBQEJGNORPNKC-PDLWQGAHSA-N
ChEBI Ontology
Outgoing Relation(s)
Phrymarolin I (CHEBI:8173) is a benzodioxoles (CHEBI:38298)
Phrymarolin I (CHEBI:8173) is conjugate base of quinapril(1+) (CHEBI:141523)
Incoming Relation(s)
quinapril(1+) (CHEBI:141523) is conjugate acid of Phrymarolin I (CHEBI:8173)
Synonym  Source
Phrymarolin IKEGG COMPOUND
Manual XrefsDatabases
C10737KEGG COMPOUND
C00002617KNApSAcK
Registry NumbersSources
CAS:38303-95-6KEGG COMPOUND