CHEBI:179838 - Flakinin A

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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 Flakinin A
ChEBI ID CHEBI:179838
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H20O5
Net Charge 0
Average Mass 280.320
Monoisotopic Mass 280.13107
InChI InChI=1S/C15H20O5/c1-5(2)8-9-10-7(19-14(9)18)4-6-13(17)20-12(11(8)16)15(6,10)3/h5-12,16H,4H2,1-3H3/t6-,7-,8+,9+,10+,11-,12-,15+/m1/s1
InChIKey ARTRGGOHXKOVOA-MPGIMBTLSA-N
SMILES O1[C@]2([C@@]3([C@@]4([C@]([C@@H]([C@H]2O)C(C)C)(C(O[C@@]4(C[C@@]3(C1=O)[H])[H])=O)[H])[H])C)[H]
ChEBI Ontology
Outgoing Flakinin A (CHEBI:179838) is a γ-lactone (CHEBI:37581)
IUPAC Name
(1R,4S,5S,6R,7S,10S,11R,12S)-6-hydroxy-11-methyl-5-propan-2-yl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridecane-3,9-dione
Manual Xref Database
8764185 ChemSpider
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