CHEBI:141117 - fluctuadin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name fluctuadin
ChEBI ID CHEBI:141117
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C22H26O9
Net Charge 0
Average Mass 434.437
Monoisotopic Mass 434.15768
InChI InChI=1S/C22H26O9/c1-10(2)19(24)29-16-14-11(3)20(25)30-17(14)18-22(5,31-18)9-7-8-13(21(26)27-6)15(16)28-12(4)23/h8,14-18H,1,3,7,9H2,2,4-6H3/b13-8+/t14-,15+,16+,17-,18+,22+/m0/s1
InChIKey LJKGHMJIYVXYAL-MCCHQBFUSA-N
SMILES [C@]12(CCC=C([C@H]([C@@H]([C@]3([C@@]([C@]1(O2)[H])(OC(C3=C)=O)[H])[H])OC(C(C)=C)=O)OC(=O)C)C(OC)=O)C
ChEBI Ontology
Outgoing fluctuadin (CHEBI:141117) is a sesquiterpene lactone (CHEBI:37667)
Manual Xref Database
C00011879 KNApSAcK
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Last Modified
21 June 2018