EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:209983 - F12509A

ChEBI IDCHEBI:209983
ChEBI NameF12509A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O4
Net Charge0
Average Mass344.451
Monoisotopic Mass344.19876
SMILESC=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC1=C(O)C(=O)C=C(O)C1=O
InChIInChI=1S/C21H28O4/c1-12-6-7-17-20(2,3)8-5-9-21(17,4)14(12)10-13-18(24)15(22)11-16(23)19(13)25/h11,14,17,22,25H,1,5-10H2,2-4H3/t14-,17-,21+/m0/s1
InChIKeyKFAYECQGXSDHKU-XXHMAFKTSA-N
Species of MetaboliteComponentSourceComments
Trichopezizella (ncbitaxon:602066) - PubMed (10908108)
ChEBI Ontology
Outgoing Relation(s)
F12509A (CHEBI:209983) is a prenylquinone (CHEBI:26255)
IUPAC Name 
3-[[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-2,5-dihydroxycyclohexa-2,5-diene-1,4-dione
Manual XrefsDatabases
8038660ChemSpider