EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:181755 - Soyasapogenol M1

Default Structure
ChEBI IDCHEBI:181755
ChEBI NameSoyasapogenol M1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H48O2
Net Charge0
Average Mass440.712
Monoisotopic Mass440.36543
SMILESCC1(C)C=CC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1
InChIInChI=1S/C30H48O2/c1-25(2)14-15-26(3)16-17-29(6)20(21(26)18-25)8-9-23-27(4)12-11-24(32)28(5,19-31)22(27)10-13-30(23,29)7/h8,14-15,21-24,31-32H,9-13,16-19H2,1-7H3
InChIKeyVNGUCOGHCJHFID-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Soyasapogenol M1 (CHEBI:181755) is a triterpenoid (CHEBI:36615)
IUPAC Name 
4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,12,12a,14,14a-dodecahydropicen-3-ol
Manual XrefsDatabases
13248766ChemSpider
HMDB0034506HMDB