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CHEBI:214798 - 7alpha-ethoxycallitirisic acid

ChEBI IDCHEBI:214798
ChEBI Name7alpha-ethoxycallitirisic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O3
Net Charge0
Average Mass344.495
Monoisotopic Mass344.23514
SMILESCCO[C@@H]1C[C@H]2[C@](C)(C(=O)O)CCC[C@]2(C)c2ccc(C(C)C)cc21
InChIInChI=1S/C22H32O3/c1-6-25-18-13-19-21(4,10-7-11-22(19,5)20(23)24)17-9-8-15(14(2)3)12-16(17)18/h8-9,12,14,18-19H,6-7,10-11,13H2,1-5H3,(H,23,24)/t18-,19-,21-,22-/m1/s1
InChIKeyXNNFKZGZYPONJD-UGESXGAOSA-N
Species of MetaboliteComponentSourceComments
Wolfiporia cocos (ncbitaxon:81056) - DOI (10.1016/j.phytol.2020.01.005)
ChEBI Ontology
Outgoing Relation(s)
7alpha-ethoxycallitirisic acid (CHEBI:214798) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1R,4aS,9R,10aR)-9-ethoxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid