CHEBI:216218 - 4,5-di-O-acetyl hygrophorone A14

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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 4,5-di-O-acetyl hygrophorone A14
ChEBI ID CHEBI:216218
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H40O6
Net Charge 0
Average Mass 424.578
Monoisotopic Mass 424.28249
InChI InChI=1S/C24H40O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22(29-19(2)25)24(28)21(27)17-18-23(24)30-20(3)26/h17-18,22-23,28H,4-16H2,1-3H3/t22?,23-,24+/m1/s1
InChIKey ZKCYUNQFSFGHND-XQFMJXHWSA-N
SMILES O=C1C=C[C@H]([C@@]1(O)C(OC(=O)C)CCCCCCCCCCCCCC)OC(=O)C
Metabolite of Species Details
Hygrophorus persoonii (NCBI:txid1032769) See: PubMed
ChEBI Ontology
Outgoing 4,5-di-O-acetyl hygrophorone A14 (CHEBI:216218) is a carboxylic ester (CHEBI:33308)
IUPAC Name
[(1R,5S)-5-(1-acetyloxypentadecyl)-5-hydroxy-4-oxocyclopent-2-en-1-yl] acetate
Manual Xref Database
9410654 ChemSpider
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