CHEBI:9965 - Vernolide

ChEBI IDCHEBI:9965
ChEBI NameVernolide
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC19H22O7
Net Charge0
Average Mass362.378
Monoisotopic Mass362.13655
SMILES[H][C@@]12/C=C3/CC[C@@]4([H])O[C@@]4(C[C@H](OC(=O)C(=C)C)[C@@]1([H])C(=C)C(=O)O2)[C@H](O)OC3
InChIInChI=1S/C19H22O7/c1-9(2)16(20)25-13-7-19-14(26-19)5-4-11(8-23-18(19)22)6-12-15(13)10(3)17(21)24-12/h6,12-15,18,22H,1,3-5,7-8H2,2H3/b11-6-/t12-,13+,14-,15+,18-,19-/m1/s1
InChIKeyZGXVZQZFVYSUDU-ULYHCOEVSA-N
ChEBI Ontology
Outgoing Relation(s)
Vernolide (CHEBI:9965) is a γ-lactone (CHEBI:37581)
Synonym  Source
VernolideKEGG COMPOUND
Manual XrefsDatabases
C09583KEGG COMPOUND
C00003388KNApSAcK
Registry NumbersSources
CAS:27428-86-0KEGG COMPOUND