CHEBI:135593 - ecabet

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name ecabet
ChEBI ID CHEBI:135593
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H28O5S
Net Charge 0
Average Mass 380.500
Monoisotopic Mass 380.16575
InChI InChI=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
InChIKey IWCWQNVIUXZOMJ-MISYRCLQSA-N
SMILES C[C@@]12C=3C(=CC(=C(C3)S(=O)(=O)O)C(C)C)CC[C@]1([C@@](C(O)=O)(C)CCC2)[H]
ChEBI Ontology
Outgoing ecabet (CHEBI:135593) is a diterpenoid (CHEBI:23849)
Synonyms Sources
ecabet sodium DrugCentral
TA-2711 DrugCentral
Manual Xrefs Databases
981 DrugCentral
HMDB0015613 HMDB
View more database links
Registry Number Type Source
33159-27-2 CAS Registry Number DrugCentral
Last Modified
23 February 2017