EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:168281 - (17alpha,23S)-Epoxy-28,29-dihydroxy-27-norlanost-8-ene-3,24-dione

Default Structure
ChEBI IDCHEBI:168281
ChEBI Name(17alpha,23S)-Epoxy-28,29-dihydroxy-27-norlanost-8-ene-3,24-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H44O5
Net Charge0
Average Mass472.666
Monoisotopic Mass472.31887
SMILESCCC(=O)C1CC(C)C2(CCC3(C)C4=C(CCC32C)C2(C)CCC(=O)C(CO)(CO)C2CC4)O1
InChIInChI=1S/C29H44O5/c1-6-21(32)22-15-18(2)29(34-22)14-13-26(4)20-7-8-23-25(3,19(20)9-12-27(26,29)5)11-10-24(33)28(23,16-30)17-31/h18,22-23,30-31H,6-17H2,1-5H3
InChIKeyDIKWKAQBKMFLHS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
(17alpha,23S)-Epoxy-28,29-dihydroxy-27-norlanost-8-ene-3,24-dione (CHEBI:168281) is a triterpenoid (CHEBI:36615)
IUPAC Name 
4,4-bis(hydroxymethyl)-3',10,13,14-tetramethyl-5'-propanoylspiro[2,5,6,7,11,12,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-3-one
Manual XrefsDatabases
HMDB0035624HMDB