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CHEBI:135593 - ecabet

ChEBI IDCHEBI:135593
ChEBI Nameecabet
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC20H28O5S
Net Charge0
Average Mass380.506
Monoisotopic Mass380.16574
SMILES[H][C@@]12CCc3cc(C(C)C)c(S(=O)(=O)O)cc3[C@@]1(C)CCC[C@@]2(C)C(=O)O
InChIInChI=1S/C20H28O5S/c1-12(2)14-10-13-6-7-17-19(3,8-5-9-20(17,4)18(21)22)15(13)11-16(14)26(23,24)25/h10-12,17H,5-9H2,1-4H3,(H,21,22)(H,23,24,25)/t17-,19-,20-/m1/s1
InChIKeyIWCWQNVIUXZOMJ-MISYRCLQSA-N
ChEBI Ontology
Outgoing Relation(s)
ecabet (CHEBI:135593) is a diterpenoid (CHEBI:23849)
Synonyms  Source
TA-2711DrugCentral
ecabet sodiumDrugCentral
Manual XrefsDatabases
981DrugCentral
HMDB0015613HMDB
Registry NumbersSources
CAS:33159-27-2DrugCentral