CHEBI:146784 - 8beta-epoxyangeloyloxy-9alpha-ethoxy-14-oxo-acanthospermolide

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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 8beta-epoxyangeloyloxy-9alpha-ethoxy-14-oxo-acanthospermolide
ChEBI ID CHEBI:146784
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C22H28O7
Net Charge 0
Average Mass 404.459
Monoisotopic Mass 404.18350
InChI InChI=1S/C22H28O7/c1-6-26-18-15(11-23)9-7-8-12(2)10-16-17(13(3)20(24)27-16)19(18)28-21(25)22(5)14(4)29-22/h9-11,14,16-19H,3,6-8H2,1-2,4-5H3/b12-10-,15-9-/t14-,16+,17+,18+,19+,22-/m0/s1
InChIKey NTAPKTSBAKEYPS-MLVSFPLASA-N
SMILES C=1(CCC=C([C@H]([C@@H]([C@]2([C@@](C1)(OC(C2=C)=O)[H])[H])OC([C@]3(C)[C@H](C)O3)=O)OCC)C=O)C
Metabolite of Species Details
Smallanthus sonchifolius (NCBI:txid185202) Found in leaf lamina (BTO:0000719). See: PubMed
ChEBI Ontology
Outgoing 8beta-epoxyangeloyloxy-9alpha-ethoxy-14-oxo-acanthospermolide (CHEBI:146784) is a sesquiterpene lactone (CHEBI:37667)