EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:182586 - 9(11)-Dehydromanogenin

Default Structure
ChEBI IDCHEBI:182586
ChEBI Name9(11)-Dehydromanogenin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H40O5
Net Charge0
Average Mass444.612
Monoisotopic Mass444.28757
SMILES[H][C@@]12CCC3C(=CC(=O)[C@@]4(C)C3C[C@]3([H])O[C@]5(CC[C@H](C)CO5)[C@@H](C)[C@]43[H])[C@@]1(C)C[C@@H](O)[C@H](O)C2
InChIInChI=1S/C27H40O5/c1-14-7-8-27(31-13-14)15(2)24-22(32-27)10-19-17-6-5-16-9-20(28)21(29)12-25(16,3)18(17)11-23(30)26(19,24)4/h11,14-17,19-22,24,28-29H,5-10,12-13H2,1-4H3/t14-,15-,16-,17?,19?,20+,21+,22-,24-,25-,26+,27+/m0/s1
InChIKeyLXLRCWVAWYFQIU-SIJSCITFSA-N
ChEBI Ontology
Outgoing Relation(s)
9(11)-Dehydromanogenin (CHEBI:182586) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(4S,5'S,6R,7S,8R,9S,13S,15R,16R,18S)-15,16-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-11-ene-6,2'-oxane]-10-one
Manual XrefsDatabases
29814515ChemSpider