CHEBI:199722 - 4beta-Acetoxytetrahydrobotryslactone

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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 4beta-Acetoxytetrahydrobotryslactone
ChEBI ID CHEBI:199722
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H30O6
Net Charge 0
Average Mass 366.454
Monoisotopic Mass 366.20424
InChI InChI=1S/C20H30O6/c1-10-6-14(25-11(2)22)16-17(20(5,9-21)8-19(16,3)4)15(10)13-7-12(23)18(24)26-13/h10,12-14,16,21,23H,6-9H2,1-5H3/t10-,12-,13+,14+,16-,20-/m1/s1
InChIKey RVXLTRZIAMMATE-JMTSMVSISA-N
SMILES O=C1O[C@H](C2=C3[C@](CC([C@@H]3[C@@H](OC(=O)C)C[C@H]2C)(C)C)(CO)C)C[C@H]1O
Metabolite of Species Details
Botrytis cinerea (NCBI:txid40559) See: PubMed
ChEBI Ontology
Outgoing 4beta-Acetoxytetrahydrobotryslactone (CHEBI:199722) is a γ-lactone (CHEBI:37581)
IUPAC Name
[(1S,3aS,4S,6R)-1-(hydroxymethyl)-7-[(2S,4R)-4-hydroxy-5-oxooxolan-2-yl]-1,3,3,6-tetramethyl-3a,4,5,6-tetrahydro-2H-inden-4-yl] acetate
Manual Xref Database
9189198 ChemSpider
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