EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:209708 - Phomadecalin F

ChEBI IDCHEBI:209708
ChEBI NamePhomadecalin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O4
Net Charge0
Average Mass264.321
Monoisotopic Mass264.13616
SMILESC[C@H]1CC(=O)C=C2C=CC(=C(CO)CO)[C@H](O)[C@@]21C
InChIInChI=1S/C15H20O4/c1-9-5-12(18)6-11-3-4-13(10(7-16)8-17)14(19)15(9,11)2/h3-4,6,9,14,16-17,19H,5,7-8H2,1-2H3/t9-,14-,15+/m0/s1
InChIKeyLBLNVMDVXJLEOE-ULKVUYOBSA-N
Species of MetaboliteComponentSourceComments
Microdiplodia (ncbitaxon:371130) - DOI (10.1016/j.phytol.2015.10.004)
ChEBI Ontology
Outgoing Relation(s)
Phomadecalin F (CHEBI:209708) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(4S,4aR,5S)-6-(1,3-dihydroxypropan-2-ylidene)-5-hydroxy-4,4a-dimethyl-4,5-dihydro-3H-naphthalen-2-one
Manual XrefsDatabases
78442072ChemSpider