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CHEBI:182505 - 2-[(1S,2R,3E,7E)-2-Hydroxy-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-2-enoic acid

Default Structure
ChEBI IDCHEBI:182505
ChEBI Name2-[(1S,2R,3E,7E)-2-Hydroxy-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-2-enoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILESC=C(C(=O)O)[C@@H]1CC/C(C)=C/CC/C(C)=C/[C@H]1O
InChIInChI=1S/C15H22O3/c1-10-5-4-6-11(2)9-14(16)13(8-7-10)12(3)15(17)18/h5,9,13-14,16H,3-4,6-8H2,1-2H3,(H,17,18)/b10-5+,11-9+/t13-,14+/m0/s1
InChIKeyDCBBYKNERJKYSH-AHNJNIBGSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,2R,3E,7E)-2-Hydroxy-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-2-enoic acid (CHEBI:182505) is a germacrane sesquiterpenoid (CHEBI:68588)
IUPAC Name 
2-[(1S,2R,3E,7E)-2-hydroxy-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-2-enoic acid
Manual XrefsDatabases
C21922KEGG COMPOUND