EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:219195 - Sequoiatone E

ChEBI IDCHEBI:219195
ChEBI NameSequoiatone E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O6
Net Charge0
Average Mass390.476
Monoisotopic Mass390.20424
SMILESCOC(=O)C1=C2C=COC(C)=C2[C@](C)(O)/C1=C/C(=O)[C@@H](C)CCCCCCO
InChIInChI=1S/C22H30O6/c1-14(9-7-5-6-8-11-23)18(24)13-17-19(21(25)27-4)16-10-12-28-15(2)20(16)22(17,3)26/h10,12-14,23,26H,5-9,11H2,1-4H3/b17-13+/t14-,22+/m0/s1
InChIKeyBJRVUWKADRHSIV-TVXHFNGESA-N
Species of MetaboliteComponentSourceComments
Aspergillus parasiticus (ncbitaxon:5067) - PubMed (11678666)
ChEBI Ontology
Outgoing Relation(s)
Sequoiatone E (CHEBI:219195) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
methyl (6E,7R)-7-hydroxy-6-[(3S)-9-hydroxy-3-methyl-2-oxononylidene]-1,7-dimethylcyclopenta[c]pyran-5-carboxylate
Manual XrefsDatabases
9048121ChemSpider