EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:229188 - Oriediterpenoside

ChEBI IDCHEBI:229188
ChEBI NameOriediterpenoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H40O6
Net Charge0
Average Mass436.589
Monoisotopic Mass436.28249
SMILES[H][C@]12C[C@@]3(CCC4C(C)(C)[C@H](O[C@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]4(C)C3CC1=O)CC2C
InChIInChI=1S/C25H40O6/c1-13-10-25-8-5-17-23(2,3)19(31-22-21(29)20(28)16(27)12-30-22)6-7-24(17,4)18(25)9-15(26)14(13)11-25/h13-14,16-22,27-29H,5-12H2,1-4H3/t13?,14-,16-,17?,18?,19-,20+,21-,22-,24-,25-/m1/s1
InChIKeyITBIOEXYDKFWDZ-SUMMCVSUSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Oriediterpenoside (CHEBI:229188) is a kaurane diterpenoid (CHEBI:53666)
IUPAC Name 
(1R,6R,9S,13R)-5,5,9,14-tetramethyl-6-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxytetracyclo[11.2.1.01,10.04,9]hexadecan-12-one
Manual XrefsDatabases
4885038ChemSpider