CHEBI:4409 - Deoxyelephantopin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Deoxyelephantopin
ChEBI ID CHEBI:4409
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C19H20O6
Net Charge 0
Average Mass 344.359
Monoisotopic Mass 344.12599
InChI InChI=1S/C19H20O6/c1-9(2)17(20)24-15-8-12-7-13(23-19(12)22)5-10(3)6-14-16(15)11(4)18(21)25-14/h6-7,13-16H,1,4-5,8H2,2-3H3/b10-6+/t13-,14-,15+,16+/m1/s1
InChIKey JMUOPRSXUVOHFE-GZZMZBIISA-N
SMILES CC(=C)C(=O)O[C@H]1CC2=C[C@@H](C\C(C)=C\[C@H]3OC(=O)C(=C)[C@H]13)OC2=O
ChEBI Ontology
Outgoing Deoxyelephantopin (CHEBI:4409) is a sesquiterpenoid (CHEBI:26658)
Synonym Source
Deoxyelephantopin KEGG COMPOUND
Manual Xrefs Databases
C00003246 KNApSAcK
C09388 KEGG COMPOUND
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Registry Number Type Source
29307-03-7 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014