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CHEBI:5817 - Hydroxyvernolide

ChEBI IDCHEBI:5817
ChEBI NameHydroxyvernolide
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC19H22O8
Net Charge0
Average Mass378.377
Monoisotopic Mass378.13147
SMILES[H][C@@]12/C=C3/CC[C@@]4([H])O[C@@]4(C[C@H](OC(=O)C(=C)CO)[C@@]1([H])C(=C)C(=O)O2)[C@H](O)OC3
InChIInChI=1S/C19H22O8/c1-9(7-20)16(21)26-13-6-19-14(27-19)4-3-11(8-24-18(19)23)5-12-15(13)10(2)17(22)25-12/h5,12-15,18,20,23H,1-4,6-8H2/b11-5-/t12-,13+,14-,15+,18-,19-/m1/s1
InChIKeyVPZCNCFYAPSUAL-LQLHESBKSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Hydroxyvernolide (CHEBI:5817) is a 3-hydroxy carboxylic acid (CHEBI:61355)
Synonym  Source
HydroxyvernolideKEGG COMPOUND
Manual XrefsDatabases
C09477KEGG COMPOUND
C00003301KNApSAcK
Registry NumbersSources
CAS:27470-84-4KEGG COMPOUND