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CHEBI:3863 - Convallamarogenin

Default Structure
ChEBI IDCHEBI:3863
ChEBI NameConvallamarogenin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC27H42O4
Net Charge0
Average Mass430.629
Monoisotopic Mass430.30831
SMILES[H][C@]12CC[C@@]3([H])[C@]4([H])C[C@]5([H])O[C@]6(CCC(=C)CO6)[C@@H](C)[C@]5([H])[C@@]4(C)CC[C@]3([H])[C@@]1(C)[C@H](O)C[C@H](O)C2
InChIInChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h16-24,28-29H,1,5-14H2,2-4H3/t16-,17+,18+,19+,20-,21-,22-,23+,24-,25-,26-,27+/m0/s1
InChIKeyXLHFBXMTUNORSV-ZENYHQJXSA-N
ChEBI Ontology
Outgoing Relation(s)
Convallamarogenin (CHEBI:3863) is a triterpenoid (CHEBI:36615)
Synonym  Source
ConvallamarogeninKEGG COMPOUND
Manual XrefsDatabases
C00003568KNApSAcK
C08891KEGG COMPOUND
Registry NumbersSources
CAS:16683-27-5KEGG COMPOUND