EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:202956 - Salimyxin B

ChEBI IDCHEBI:202956
ChEBI NameSalimyxin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32O4
Net Charge0
Average Mass348.483
Monoisotopic Mass348.23006
SMILESC[C@H](/C=C/[C@H](C)C(C)(C)O)[C@H]1CC[C@H]2C3=CC(=O)O[C@@]3(O)CC[C@]12C
InChIInChI=1S/C21H32O4/c1-13(6-7-14(2)19(3,4)23)15-8-9-16-17-12-18(22)25-21(17,24)11-10-20(15,16)5/h6-7,12-16,23-24H,8-11H2,1-5H3/b7-6+/t13-,14+,15-,16+,20-,21+/m1/s1
InChIKeySHUNDKCHHXBLQQ-FVAQLPKLSA-N
Species of MetaboliteComponentSourceComments
Enhygromyxa (ncbitaxon:215802) - PubMed (23794290)
ChEBI Ontology
Outgoing Relation(s)
Salimyxin B (CHEBI:202956) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(3aS,5aR,6R,8aR)-3a-hydroxy-6-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-5a-methyl-4,5,6,7,8,8a-hexahydrocyclopenta[e][1]benzouran-2-one
Manual XrefsDatabases
30770939ChemSpider