CHEBI:199330 - (E)-6-(4′-hydroxy-2′-butenoyl)-strobilactone A

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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 (E)-6-(4′-hydroxy-2′-butenoyl)-strobilactone A
ChEBI ID CHEBI:199330
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C19H26O6
Net Charge 0
Average Mass 350.411
Monoisotopic Mass 350.17294
InChI InChI=1S/C19H26O6/c1-17(2)7-5-8-18(3)15(17)13(25-14(21)6-4-9-20)10-12-11-24-16(22)19(12,18)23/h4,6,10,13,15,20,23H,5,7-9,11H2,1-3H3/b6-4+/t13-,15+,18+,19+/m1/s1
InChIKey TYGNEFQVDBQZSZ-DBPGAUQVSA-N
SMILES O=C1OCC=2[C@@]1(O)[C@@]3([C@H](C(CCC3)(C)C)[C@@H](C2)OC(=O)/C=C/CO)C
Metabolite of Species Details
Aspergillus insuetus (NCBI:txid469274) See: PubMed
ChEBI Ontology
Outgoing (E)-6-(4′-hydroxy-2′-butenoyl)-strobilactone A (CHEBI:199330) is a naphthofuran (CHEBI:39270)
IUPAC Name
[(5R,5aS,9aS,9bS)-9b-hydroxy-6,6,9a-trimethyl-1-oxo-3,5,5a,7,8,9-hexahydrobenzo[e][2]benzouran-5-yl] (E)-4-hydroxybut-2-enoate
Manual Xref Database
27025763 ChemSpider
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