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CHEBI:9959 - Vernodalin

Default Structure
ChEBI IDCHEBI:9959
ChEBI NameVernodalin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC19H20O7
Net Charge0
Average Mass360.362
Monoisotopic Mass360.12090
SMILES[H][C@]12OC(=O)C(=C)[C@]1([H])[C@@H](OC(=O)C(=C)CO)C[C@]1(C=C)COC(=O)C(=C)[C@@]12[H]
InChIInChI=1S/C19H20O7/c1-5-19-6-12(25-16(21)9(2)7-20)13-10(3)18(23)26-15(13)14(19)11(4)17(22)24-8-19/h5,12-15,20H,1-4,6-8H2/t12-,13+,14+,15-,19+/m0/s1
InChIKeyZSXNBLOPYIJLQV-WSVVRNJXSA-N
ChEBI Ontology
Outgoing Relation(s)
Vernodalin (CHEBI:9959) is a carbonyl compound (CHEBI:36586)
Synonym  Source
VernodalinKEGG COMPOUND
Manual XrefsDatabases
C00003384KNApSAcK
C09576KEGG COMPOUND
Registry NumbersSources
CAS:21871-10-3KEGG COMPOUND