CHEBI:225292 - Tornabeatin D

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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 Tornabeatin D
ChEBI ID CHEBI:225292
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H40O3
Net Charge 0
Average Mass 352.559
Monoisotopic Mass 352.29775
InChI InChI=1S/C22H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-22(2,19-23)25-21(20)24/h17,23H,3-16,18-19H2,1-2H3/b20-17-/t22-/m1/s1
InChIKey PUKKHYJSOBFENT-XPUAKXTGSA-N
SMILES O=C/1O[C@](CO)(C)C\C1=C\CCCCCCCCCCCCCCC
Metabolite of Species Details
Tornabea scutellifera (NCBI:txid205647) See: PubMed
ChEBI Ontology
Outgoing Tornabeatin D (CHEBI:225292) is a γ-lactone (CHEBI:37581)
IUPAC Name
(3Z,5R)-3-hexadecylidene-5-(hydroxymethyl)-5-methyloxolan-2-one
Manual Xref Database
9454626 ChemSpider
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