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CHEBI:211408 - Ganotheaecolumol I

Default Structure
ChEBI IDCHEBI:211408
ChEBI NameGanotheaecolumol I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H26O6
Net Charge0
Average Mass374.433
Monoisotopic Mass374.17294
SMILESC/C(=C/CC/C(C)=C/CC/C(=C/C(=O)c1cc(O)ccc1O)C(=O)O)CO
InChIInChI=1S/C21H26O6/c1-14(5-3-7-15(2)13-22)6-4-8-16(21(26)27)11-20(25)18-12-17(23)9-10-19(18)24/h6-7,9-12,22-24H,3-5,8,13H2,1-2H3,(H,26,27)/b14-6+,15-7-,16-11-
InChIKeyNNMYUEIQQGJWFO-GPHFOOKYSA-N
Species of MetaboliteComponentSourceComments
Ganoderma (ncbitaxon:5314) - DOI (10.1016/j.tet.2018.06.053)
ChEBI Ontology
Outgoing Relation(s)
Ganotheaecolumol I (CHEBI:211408) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(2Z,5E,9Z)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethylidene]-11-hydroxy-6,10-dimethylundeca-5,9-dienoic acid
Manual XrefsDatabases
78435794ChemSpider