CHEBI:224508 - Helicascolide E

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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 Helicascolide E
ChEBI ID CHEBI:224508
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H22O5
Net Charge 0
Average Mass 270.325
Monoisotopic Mass 270.14672
InChI InChI=1S/C14H22O5/c1-8(6-7-18-10(3)15)11-9(2)12(16)14(4,5)13(17)19-11/h6,9,11-12,16H,7H2,1-5H3/t9-,11-,12-/m1/s1
InChIKey XIJHOISFQHRMER-YUSALJHKSA-N
SMILES O=C1O[C@H](C(=CCOC(=O)C)C)[C@@H](C)[C@H](C1(C)C)O
Metabolite of Species Details
Daldinia (NCBI:txid42360) See: PubMed
ChEBI Ontology
Outgoing Helicascolide E (CHEBI:224508) is a δ-lactone (CHEBI:18946)
IUPAC Name
3-[(2S,3S,4R)-4-hydroxy-3,5,5-trimethyl-6-oxooxan-2-yl]but-2-enyl acetate