EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:220044 - Davotremulane A

ChEBI IDCHEBI:220044
ChEBI NameDavotremulane A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O5
Net Charge0
Average Mass284.352
Monoisotopic Mass284.16237
SMILESC[C@H]1[C@H](O)C[C@H](C(=O)O)C(CO)=C2C[C@@](C)(CO)C[C@@H]21
InChIInChI=1S/C15H24O5/c1-8-10-4-15(2,7-17)5-11(10)12(6-16)9(14(19)20)3-13(8)18/h8-10,13,16-18H,3-7H2,1-2H3,(H,19,20)/t8-,9+,10-,13-,15+/m1/s1
InChIKeyZYNJFACURHYFIC-PGZHFOILSA-N
ChEBI Ontology
Outgoing Relation(s)
Davotremulane A (CHEBI:220044) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(2S,5S,7R,8R,8aR)-7-hydroxy-2,4-bis(hydroxymethyl)-2,8-dimethyl-3,5,6,7,8,8a-hexahydro-1H-azulene-5-carboxylic acid
Manual XrefsDatabases
78439540ChemSpider