CHEBI:225020 - 4,5,6-Tri-O-acetyl hygrophorone A12

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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 4,5,6-Tri-O-acetyl hygrophorone A12
ChEBI ID CHEBI:225020
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H38O7
Net Charge 0
Average Mass 438.561
Monoisotopic Mass 438.26175
InChI InChI=1S/C24H38O7/c1-5-6-7-8-9-10-11-12-13-14-15-22(29-18(2)25)24(31-20(4)27)21(28)16-17-23(24)30-19(3)26/h16-17,22-23H,5-15H2,1-4H3/t22?,23-,24+/m1/s1
InChIKey HELIJCZATUDERA-XQFMJXHWSA-N
SMILES O=C1C=C[C@H]([C@@]1(OC(=O)C)C(OC(=O)C)CCCCCCCCCCCC)OC(=O)C
Metabolite of Species Details
Hygrophorus latitabundus (NCBI:txid131569) See: PubMed
ChEBI Ontology
Outgoing 4,5,6-Tri-O-acetyl hygrophorone A12 (CHEBI:225020) is a carboxylic ester (CHEBI:33308)
IUPAC Name
[(1R,5S)-5-acetyloxy-5-(1-acetyloxytridecyl)-4-oxocyclopent-2-en-1-yl] acetate
Manual Xref Database
9411025 ChemSpider
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